data_1yx4_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 1yx4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo . . . . . 0 N--CA 1.484 0.934 0 N-CA-C 110.436 -0.64 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -61.15 -22.4 64.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.891 . . . . 0.0 110.206 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -16.68 61.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 110.343 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -157.17 116.08 1.99 Allowed Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.294 -0.879 . . . . 0.0 110.137 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.27 -45.02 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 O-C-N 123.928 1.489 . . . . 0.0 110.664 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -61.64 -51.11 69.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.299 -0.875 . . . . 0.0 110.204 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.17 -30.33 71.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.439 -0.788 . . . . 0.0 110.148 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.98 -54.19 45.14 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.364 -0.835 . . . . 0.0 110.106 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.33 -37.48 87.41 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.331 -0.856 . . . . 0.0 110.048 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.4 75.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.402 -0.811 . . . . 0.0 110.029 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -24.88 58.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.441 -0.787 . . . . 0.0 110.202 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.29 -31.23 23.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 0.0 109.463 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.0 t -80.64 -28.29 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.619 -0.675 . . . . 0.0 109.817 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.7 m -77.75 -46.35 21.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.451 -0.781 . . . . 0.0 110.032 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -40.84 97.99 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.367 -0.833 . . . . 0.0 109.949 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -69.29 -32.35 71.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.406 -0.809 . . . . 0.0 110.043 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.88 -50.97 60.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.382 -0.824 . . . . 0.0 110.076 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -35.55 75.77 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.325 -0.859 . . . . 0.0 110.069 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -46.26 91.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.344 -0.848 . . . . 0.0 110.049 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -59.38 -35.05 73.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.352 -0.843 . . . . 0.0 109.982 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.35 -45.67 65.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.41 -0.806 . . . . 0.0 109.925 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 2.0 tt0 -71.58 -23.15 61.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.445 -0.785 . . . . 0.0 110.109 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -83.69 -57.35 3.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.393 -0.817 . . . . 0.0 109.738 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.61 -32.59 42.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.464 -0.773 . . . . 0.0 109.315 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -32.71 23.63 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -66.17 -52.19 50.59 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.857 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -66.31 -31.64 72.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.339 -0.851 . . . . 0.0 109.825 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -54.47 -49.24 70.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.319 -0.863 . . . . 0.0 109.195 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.05 -23.76 64.09 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.866 -0.734 . . . . 0.0 109.218 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.26 73.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.535 -0.728 . . . . 0.0 109.991 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.08 -39.48 12.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.393 -0.817 . . . . 0.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -32.82 74.07 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.39 -0.819 . . . . 0.0 110.139 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 t -89.42 -31.85 17.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.347 -0.846 . . . . 0.0 110.15 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.56 93.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.355 -0.841 . . . . 0.0 110.108 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.54 -25.65 12.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.318 -0.864 . . . . 0.0 110.316 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 52.39 79.07 0.12 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.333 -0.854 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 52.18 27.12 4.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.395 -0.816 . . . . 0.0 110.487 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.234 0.54 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -76.09 -31.02 58.51 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.236 -0.915 . . . . 0.0 109.095 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.05 97.95 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.759 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.59 -30.63 71.72 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -37.94 60.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.6 -0.688 . . . . 0.0 109.632 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -79.19 -57.39 3.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.413 -0.804 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -37.26 50.32 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.223 -0.923 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.0 m -68.4 -44.17 75.64 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.367 -0.833 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.1 tp -82.03 -15.38 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.234 -0.916 . . . . 0.0 110.113 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.7 p -71.96 -41.97 67.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.37 -0.831 . . . . 0.0 109.676 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -29.21 33.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.469 -0.769 . . . . 0.0 109.918 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.437 -0.789 . . . . 0.0 110.149 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.136 0.493 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.5 p -59.75 -25.53 64.93 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.376 -0.828 . . . . 0.0 110.417 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -96.18 41.15 1.11 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.303 -0.873 . . . . 0.0 110.286 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 26.7 mtm -150.67 138.17 19.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.319 -0.863 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.7 p -62.1 175.41 0.71 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.15 -33.37 72.08 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.343 -0.848 . . . . 0.0 110.206 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -81.51 -34.73 31.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.29 -0.881 . . . . 0.0 109.997 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.85 -58.9 5.92 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.344 -0.847 . . . . 0.0 109.866 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -62.01 -30.96 71.31 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.376 -0.827 . . . . 0.0 109.301 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -40.08 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.501 -0.749 . . . . 0.0 109.586 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.27 91.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.436 -0.79 . . . . 0.0 109.624 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -65.87 -39.59 90.85 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.451 -0.78 . . . . 0.0 109.978 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.11 78.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.467 -0.771 . . . . 0.0 110.255 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.43 -27.9 41.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.0 109.577 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -63.34 -34.75 78.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.452 -0.78 . . . . 0.0 109.74 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -28.43 30.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.494 -0.754 . . . . 0.0 110.024 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.7 m -95.06 11.08 33.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.57 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.223 -0.923 . . . . 0.0 110.105 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 17' ' ' SER . 37.0 Cg_endo . . . . . 0 N--CA 1.483 0.882 0 CA-C-O 121.773 0.655 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.7 t 70.28 47.3 0.55 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 44.64 27.27 0.24 Allowed 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.798 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.44 119.06 0.58 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.26 -0.9 . . . . 0.0 110.265 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -73.49 -36.23 4.11 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 O-C-N 123.949 1.499 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -63.42 -49.52 73.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.389 -0.819 . . . . 0.0 110.172 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -29.26 66.53 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.263 -0.898 . . . . 0.0 110.058 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.5 84.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.372 -0.83 . . . . 0.0 110.065 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -38.6 65.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.325 -0.859 . . . . 0.0 110.138 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.73 91.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.329 -0.857 . . . . 0.0 110.134 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.09 -21.43 62.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.267 -0.895 . . . . 0.0 110.214 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -79.19 -27.72 42.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -0.896 . . . . 0.0 109.165 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.1 t -79.18 -27.81 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.6 -0.688 . . . . 0.0 109.679 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 t -76.25 -47.91 22.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.407 -0.808 . . . . 0.0 110.021 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.6 tpt -61.99 -40.57 96.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 110.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -63.22 -37.72 88.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.428 -0.795 . . . . 0.0 110.053 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.87 -37.14 85.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.323 -0.861 . . . . 0.0 110.052 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.86 -41.47 74.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.805 . . . . 0.0 110.085 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -47.0 88.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.388 -0.82 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -60.06 -40.63 90.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.396 -0.815 . . . . 0.0 110.142 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -70.48 -43.95 68.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.412 -0.805 . . . . 0.0 109.989 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 15.1 mm100 -73.95 -18.14 60.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.385 -0.822 . . . . 0.0 110.19 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.4 -59.23 2.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.43 -0.794 . . . . 0.0 109.698 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -53.17 -31.27 41.8 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.438 -0.789 . . . . 0.0 109.337 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -84.26 -35.2 23.55 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.58 -0.7 . . . . 0.0 109.695 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -73.37 -55.0 6.96 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.214 -0.929 . . . . 0.0 110.008 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -58.35 -47.2 84.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.443 -0.786 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -46.37 70.63 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.287 -0.883 . . . . 0.0 110.08 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.53 -24.7 63.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.464 -0.772 . . . . 0.0 109.854 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.2 -34.08 49.65 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 110.07 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.84 -39.25 64.14 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.366 -0.834 . . . . 0.0 110.155 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.51 -41.62 75.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -71.62 -17.97 62.24 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.28 -0.887 . . . . 0.0 110.433 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.53 -31.23 29.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.251 -0.905 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.81 -18.89 14.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.337 -0.852 . . . . 0.0 110.504 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -99.8 -57.36 2.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.201 -0.937 . . . . 0.0 110.176 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.04 4.99 45.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.383 -0.823 . . . . 0.0 110.594 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 121.081 0.467 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -72.21 -29.56 64.07 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.078 -1.013 . . . . 0.0 109.223 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.62 85.15 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 119.505 -0.878 . . . . 0.0 108.902 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.77 -29.7 69.57 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tt -77.6 -34.93 53.33 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.506 -0.746 . . . . 0.0 109.766 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.6 -56.86 3.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -0.782 . . . . 0.0 110.733 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -41.05 69.89 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.138 -0.976 . . . . 0.0 110.725 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.6 m -68.64 -41.09 79.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.197 -0.94 . . . . 0.0 110.686 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 tp -82.1 -18.37 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.133 -0.98 . . . . 0.0 110.061 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.0 m -71.95 -37.5 69.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.302 -0.874 . . . . 0.0 109.883 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.94 -28.32 27.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.43 -0.794 . . . . 0.0 110.206 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.288 -0.882 . . . . 0.0 110.381 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.199 0.524 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.7 t -56.21 -26.62 51.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.264 -0.897 . . . . 0.0 110.382 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.5 t -94.06 43.94 1.11 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.859 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.423 ' CG ' ' HB3' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -147.28 126.0 12.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.87 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.414 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 71.5 p -60.45 -177.93 0.08 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.365 -0.834 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.41 -33.28 73.43 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.408 -0.808 . . . . 0.0 110.263 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.82 -33.41 27.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.399 -0.813 . . . . 0.0 110.022 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 87' ' ' MET . 44.4 mm-40 -56.8 -62.02 2.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.257 -0.902 . . . . 0.0 109.807 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -57.44 -31.48 65.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.337 -0.852 . . . . 0.0 109.12 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -67.25 -38.17 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.09 -34.66 72.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.402 -0.811 . . . . 0.0 109.481 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.9 -46.73 17.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.506 -0.746 . . . . 0.0 109.863 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.65 92.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.465 -0.772 . . . . 0.0 110.224 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.2 mmt -76.53 -23.98 53.67 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.298 -0.876 . . . . 0.0 109.658 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -47.88 81.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 109.923 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.1 mmm -73.21 -29.89 63.13 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.454 -0.779 . . . . 0.0 110.029 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -12.3 61.14 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.485 -0.76 . . . . 0.0 110.435 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.2 -0.938 . . . . 0.0 110.292 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo . . . . . 0 N--CA 1.485 0.973 0 N-CA-C 110.527 -0.605 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -21.75 66.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.309 -0.87 . . . . 0.0 110.222 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.5 67.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.238 -0.914 . . . . 0.0 110.338 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.72 119.83 0.65 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 0.0 110.239 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -75.55 -38.62 1.3 Allowed 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.982 1.517 . . . . 0.0 110.373 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.32 -48.06 83.05 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.29 -0.881 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.39 -30.64 71.35 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.321 -0.862 . . . . 0.0 110.153 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.81 95.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -0.807 . . . . 0.0 110.237 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.05 -41.53 67.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.326 -0.859 . . . . 0.0 110.251 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.25 92.69 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.284 -0.885 . . . . 0.0 109.963 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.97 -21.52 60.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.49 -0.756 . . . . 0.0 110.144 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -83.74 -26.68 29.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.335 -0.853 . . . . 0.0 109.805 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.9 t -77.73 -35.19 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.468 -0.77 . . . . 0.0 109.899 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -77.44 -35.54 53.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.39 -0.819 . . . . 0.0 110.021 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 ttt -68.76 -38.51 80.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 109.949 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.74 -36.83 76.16 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.397 -0.814 . . . . 0.0 109.989 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.94 -50.99 60.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.059 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -35.38 70.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.368 -0.832 . . . . 0.0 110.037 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -46.92 80.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.415 -0.803 . . . . 0.0 110.064 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.92 -51.12 62.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.342 -0.849 . . . . 0.0 110.274 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -50.01 34.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.44 -0.788 . . . . 0.0 110.027 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.2 tp-100 -58.35 -23.65 57.46 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.331 -0.855 . . . . 0.0 110.068 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.47 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 42.6 tt0 -73.28 -64.06 1.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.409 -0.807 . . . . 0.0 109.058 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.45 -29.76 11.06 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.409 -0.807 . . . . 0.0 109.117 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -26.76 26.22 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.662 -0.649 . . . . 0.0 109.65 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -85.72 -20.44 29.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.259 -0.901 . . . . 0.0 109.277 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.47 ' HD3' ' O ' ' A' ' 38' ' ' GLU . 5.6 mpt_? -82.35 -38.11 24.68 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.666 -0.646 . . . . 0.0 109.583 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -75.07 -35.21 61.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.5 -0.75 . . . . 0.0 109.683 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.98 74.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.433 -0.792 . . . . 0.0 109.947 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.44 -35.14 54.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.425 -0.797 . . . . 0.0 110.065 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -51.08 64.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.49 -0.756 . . . . 0.0 110.176 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.92 -28.62 69.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.838 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.7 t -75.18 -42.36 55.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.386 -0.821 . . . . 0.0 110.206 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.13 70.24 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.399 -0.813 . . . . 0.0 110.247 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.66 -11.53 59.87 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.402 -0.811 . . . . 0.0 110.556 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -92.09 -58.13 2.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.266 -0.896 . . . . 0.0 110.184 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.45 -12.27 22.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.36 -0.837 . . . . 0.0 110.529 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.833 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.292 0.568 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.41 -29.12 56.93 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.197 -0.939 . . . . 0.0 109.305 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.64 84.99 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.742 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.66 -30.74 67.43 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 tt -76.12 -38.26 57.08 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.588 -0.695 . . . . 0.0 109.737 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.6 mptt -83.45 -55.05 4.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.435 -0.791 . . . . 0.0 110.501 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -42.8 67.1 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.232 -0.917 . . . . 0.0 110.633 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.0 m -67.95 -42.21 81.29 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.367 -0.833 . . . . 0.0 110.563 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 tp -84.15 -8.4 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.243 -0.91 . . . . 0.0 110.493 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . 48.3 t -80.47 -49.17 11.77 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.884 . . . . 0.0 109.909 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -81.64 -21.64 38.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.388 -0.82 . . . . 0.0 110.15 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 0.0 110.371 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.4 mt . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.269 0.557 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.5 p -66.92 -29.41 69.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.341 -0.849 . . . . 0.0 110.345 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 t -100.36 35.69 2.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.375 -0.828 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 13.0 mtt -120.35 130.61 54.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.318 -0.864 . . . . 0.0 110.185 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.8 p -72.22 174.99 6.46 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.36 -0.837 . . . . 0.0 110.099 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.94 -27.61 63.55 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.453 -0.78 . . . . 0.0 110.182 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -84.55 -36.12 22.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.279 -0.888 . . . . 0.0 110.027 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -62.34 1.74 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.29 -0.881 . . . . 0.0 109.852 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -59.18 -29.66 67.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 109.348 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -47.01 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.572 -0.705 . . . . 0.0 109.368 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.5 -24.61 60.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.317 -0.865 . . . . 0.0 109.64 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.7 -45.15 19.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.456 -0.777 . . . . 0.0 110.045 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.7 -29.59 59.02 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.489 -0.757 . . . . 0.0 110.375 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.6 ttm -79.57 -24.04 42.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.261 -0.899 . . . . 0.0 109.702 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -80.01 -28.8 39.38 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.499 -0.751 . . . . 0.0 110.067 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.6 mtt -85.27 -21.39 29.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.385 -0.822 . . . . 0.0 110.435 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.6 p -90.46 -27.84 18.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -0.904 . . . . 0.0 110.467 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.287 -0.883 . . . . 0.0 110.461 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 N--CA 1.485 1.029 0 N-CA-C 110.727 -0.528 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -63.13 -17.18 62.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.296 -0.877 . . . . 0.0 110.295 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.04 -11.01 60.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.259 -0.9 . . . . 0.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -153.16 113.44 2.68 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 0.0 110.124 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -73.86 -38.07 2.52 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 O-C-N 124.004 1.528 . . . . 0.0 110.378 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.93 -46.27 75.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.391 -0.818 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.08 -29.39 67.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.402 -0.811 . . . . 0.0 109.978 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.88 97.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.469 -0.769 . . . . 0.0 110.083 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.48 -39.84 81.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 109.999 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -34.98 79.73 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.397 -0.814 . . . . 0.0 109.957 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.23 -24.12 62.13 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.334 -0.854 . . . . 0.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -85.22 -30.66 23.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.0 109.492 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -75.92 -33.86 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.571 -0.706 . . . . 0.0 109.752 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -41.04 56.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.427 -0.796 . . . . 0.0 109.902 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.6 ttt -65.41 -35.26 80.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 0.0 109.794 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -33.95 62.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.813 . . . . 0.0 110.057 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -49.1 76.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.349 -0.844 . . . . 0.0 109.923 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.82 -35.75 80.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.426 -0.796 . . . . 0.0 109.86 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -67.74 -40.26 84.17 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.479 -0.763 . . . . 0.0 110.055 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.04 -40.37 93.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.404 -0.81 . . . . 0.0 110.059 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -71.19 -39.75 71.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.498 -0.751 . . . . 0.0 109.982 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -73.35 -26.06 60.86 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.342 -0.849 . . . . 0.0 109.992 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -83.87 -58.08 2.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.429 -0.794 . . . . 0.0 109.416 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -32.71 29.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.56 -0.712 . . . . 0.0 109.266 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -84.64 -33.88 23.18 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -64.21 -52.61 58.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.422 -0.799 . . . . 0.0 109.59 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -65.38 -30.82 71.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.391 -0.818 . . . . 0.0 109.497 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -44.38 69.28 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.429 -0.794 . . . . 0.0 109.234 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.83 -23.78 58.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.579 -0.701 . . . . 0.0 109.368 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.99 72.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.456 -0.777 . . . . 0.0 110.016 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.48 -44.2 16.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.307 -0.871 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.71 78.7 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.424 -0.797 . . . . 0.0 110.091 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -84.4 -29.43 26.19 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.274 -0.891 . . . . 0.0 110.129 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.75 75.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -0.832 . . . . 0.0 110.222 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.43 -24.73 39.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.361 -0.837 . . . . 0.0 110.238 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -97.01 -67.94 0.82 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.401 -0.812 . . . . 0.0 110.315 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.4 29.86 3.44 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.405 -0.809 . . . . 0.0 110.333 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 -179.815 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.21 0.529 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -76.17 -28.95 57.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 0.0 109.323 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.91 -43.82 98.06 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.953 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -30.01 70.5 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.75 -0.834 . . . . 0.0 108.75 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.37 -44.63 58.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.528 -0.733 . . . . 0.0 109.78 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -56.59 4.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.47 -0.769 . . . . 0.0 110.235 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.7 ttt -48.54 -39.72 24.47 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.342 -0.849 . . . . 0.0 110.778 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.2 m -70.6 -40.58 73.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.378 -0.826 . . . . 0.0 110.463 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.2 tp -81.5 -16.46 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.052 -1.03 . . . . 0.0 110.053 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.88 -39.05 64.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.286 -0.884 . . . . 0.0 109.553 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -82.13 -23.13 35.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.55 -0.718 . . . . 0.0 110.112 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.307 -0.871 . . . . 0.0 110.174 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.149 0.499 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.3 p -60.72 -26.37 67.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.364 -0.835 . . . . 0.0 110.261 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 m -106.15 37.43 2.28 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.324 -0.86 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 18.6 mtt -112.61 137.24 51.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.421 -0.799 . . . . 0.0 110.135 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.6 p -75.89 171.57 14.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.444 -0.785 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.21 -29.84 64.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.395 -0.816 . . . . 0.0 110.282 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -83.53 -34.83 25.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.341 -0.849 . . . . 0.0 109.884 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.86 -62.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.382 -0.824 . . . . 0.0 109.859 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.54 -29.85 69.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.415 -0.803 . . . . 0.0 109.516 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -40.74 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.596 -0.69 . . . . 0.0 109.463 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.15 -29.67 70.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.435 -0.791 . . . . 0.0 109.632 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -84.73 -40.87 16.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.448 -0.782 . . . . 0.0 109.95 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.32 -29.03 61.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.356 -0.84 . . . . 0.0 110.136 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.6 tpt -82.61 -26.49 32.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.326 -0.859 . . . . 0.0 109.778 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.15 -41.39 67.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.379 -0.826 . . . . 0.0 110.005 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.4 tpp -75.19 -27.59 59.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.365 -0.834 . . . . 0.0 110.169 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.9 t -71.57 -27.39 63.12 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.4 -0.812 . . . . 0.0 110.284 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 110.197 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 N--CA 1.486 1.053 0 N-CA-C 110.657 -0.555 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -16.6 58.91 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.242 -0.911 . . . . 0.0 110.387 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.64 -29.33 64.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.245 -0.91 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.17 118.66 0.74 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.0 110.032 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.85 -29.22 12.63 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 123.973 1.512 . . . . 0.0 110.415 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -43.23 93.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.329 -0.857 . . . . 0.0 109.887 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.66 -27.94 64.41 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.39 -0.819 . . . . 0.0 109.982 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.92 -52.86 61.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.416 -0.803 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.79 -38.06 85.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 110.165 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.5 -39.34 61.15 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.302 -0.874 . . . . 0.0 110.463 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.4 tp -80.71 -21.32 41.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.164 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.6 -32.69 31.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 0.0 109.157 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.2 p -77.51 -25.42 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.602 -0.686 . . . . 0.0 109.852 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -48.85 13.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.485 -0.759 . . . . 0.0 110.049 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -28.48 69.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.46 -0.775 . . . . 0.0 110.176 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -75.94 -41.5 51.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.326 -0.859 . . . . 0.0 110.397 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.31 -53.31 59.22 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.248 -0.907 . . . . 0.0 110.337 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.96 -30.2 68.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.363 -0.836 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -51.43 62.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.118 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -56.95 -33.77 67.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.433 -0.792 . . . . 0.0 110.229 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -57.23 8.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.0 110.036 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 9.2 tt0 -72.65 -17.37 61.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.398 -0.814 . . . . 0.0 110.282 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -83.92 -59.91 2.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.333 -0.854 . . . . 0.0 109.634 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -50.91 -31.65 18.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.439 -0.788 . . . . 0.0 109.349 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -84.27 -35.33 23.45 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -65.8 -55.35 17.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.468 -0.77 . . . . 0.0 109.71 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -63.44 -31.97 73.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.815 . . . . 0.0 109.677 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -47.32 70.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.419 -0.801 . . . . 0.0 109.284 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.51 58.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.487 -0.758 . . . . 0.0 109.235 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.45 73.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.503 -0.748 . . . . 0.0 110.013 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.82 -27.43 22.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.44 -0.787 . . . . 0.0 110.168 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.49 -21.59 55.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.39 -0.819 . . . . 0.0 110.288 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.6 -33.39 8.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.285 -0.884 . . . . 0.0 110.359 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.93 69.23 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.408 -0.808 . . . . 0.0 110.344 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.08 27.34 5.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.303 -0.873 . . . . 0.0 110.209 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -153.85 -47.3 0.09 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.355 -0.84 . . . . 0.0 110.13 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.92 17.86 22.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.328 -0.858 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.233 0.54 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -76.62 -30.09 56.76 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.144 -0.972 . . . . 0.0 109.356 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.53 96.61 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.515 -0.874 . . . . 0.0 108.868 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.6 -28.65 69.77 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 tt -76.38 -41.04 49.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.591 -0.693 . . . . 0.0 109.981 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -53.85 5.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.522 -0.736 . . . . 0.0 110.586 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.2 mtt -53.57 -41.36 66.43 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.119 -0.988 . . . . 0.0 110.597 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.8 m -69.95 -37.84 75.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.264 -0.898 . . . . 0.0 110.699 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 tp -84.2 -17.59 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.063 -1.023 . . . . 0.0 110.209 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -37.49 64.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.732 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -89.15 -23.15 22.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.449 -0.782 . . . . 0.0 110.169 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.836 . . . . 0.0 110.308 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.119 0.485 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.7 m -59.81 -29.82 68.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.302 -0.874 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -97.94 28.94 3.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.38 -0.825 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.9 mtt -122.41 141.67 51.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.44 -0.787 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.9 p -76.73 177.72 7.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -0.861 . . . . 0.0 110.18 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.84 -33.33 71.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.383 -0.823 . . . . 0.0 110.24 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -80.92 -34.67 33.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.029 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.22 -61.94 1.99 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.325 -0.859 . . . . 0.0 109.899 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -60.16 -29.34 68.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.366 -0.834 . . . . 0.0 109.528 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -39.7 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.524 -0.735 . . . . 0.0 109.551 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.67 -28.26 69.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.322 -0.861 . . . . 0.0 109.737 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -85.03 -34.25 22.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.463 -0.773 . . . . 0.0 110.138 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.27 -30.47 30.63 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.413 -0.804 . . . . 0.0 110.466 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.4 ttt -83.7 -33.4 25.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.237 -0.915 . . . . 0.0 109.634 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -70.63 -39.98 73.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.507 -0.745 . . . . 0.0 109.887 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.2 mtp -77.29 -22.88 51.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.447 -0.783 . . . . 0.0 110.159 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.4 t -70.72 -41.44 71.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.321 -0.862 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.298 -0.876 . . . . 0.0 110.591 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 17' ' ' SER . 37.0 Cg_endo . . . . . 0 N--CA 1.484 0.92 0 CA-C-O 121.714 0.631 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER 69.67 47.31 0.65 Allowed 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 -179.393 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 43.18 29.68 0.23 Allowed 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.768 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.18 117.77 0.92 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.284 -0.885 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -75.08 -36.56 2.43 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 O-C-N 124.007 1.53 . . . . 0.0 110.299 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.46 -39.73 84.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.465 -0.772 . . . . 0.0 110.116 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -33.11 72.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.375 -0.828 . . . . 0.0 109.869 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.01 82.45 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.406 -0.809 . . . . 0.0 110.133 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.74 -28.53 67.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.378 -0.826 . . . . 0.0 110.132 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.72 84.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.337 -0.852 . . . . 0.0 110.191 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.36 -21.56 61.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.3 -0.875 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -29.88 35.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.895 . . . . 0.0 109.305 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.1 t -81.5 -27.18 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.561 -0.712 . . . . 0.0 109.839 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.3 m -76.63 -36.87 57.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.535 -0.728 . . . . 0.0 110.099 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.1 ttp -76.0 -28.14 57.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.22 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -33.97 51.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.355 -0.84 . . . . 0.0 110.063 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.87 -43.34 68.61 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.359 -0.838 . . . . 0.0 110.106 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -67.62 -28.33 67.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.521 -0.737 . . . . 0.0 110.053 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -47.94 18.5 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.206 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -59.8 -45.3 92.77 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 0.0 110.108 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -64.74 -46.44 82.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.839 . . . . 0.0 109.999 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 2.7 mm100 -72.8 -22.12 60.87 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 110.171 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -83.93 -63.02 1.42 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.485 -0.759 . . . . 0.0 109.601 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.79 -31.08 25.61 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.263 -0.898 . . . . 0.0 109.344 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -81.45 -38.59 26.17 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.622 -0.674 . . . . 0.0 109.4 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -73.29 -56.67 4.77 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.35 -0.844 . . . . 0.0 109.894 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -51.94 -41.29 61.92 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.478 -0.764 . . . . 0.0 110.269 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -60.65 -42.48 97.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.45 -0.781 . . . . 0.0 110.048 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.35 -32.06 73.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.44 -0.787 . . . . 0.0 109.97 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.4 -36.79 53.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -0.793 . . . . 0.0 110.133 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.9 95.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.347 -0.845 . . . . 0.0 110.151 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.02 -28.23 63.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -0.862 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 t -64.41 -62.86 1.34 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.367 -0.833 . . . . 0.0 110.154 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.22 68.77 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.415 -0.803 . . . . 0.0 110.182 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.21 -23.9 57.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.363 -0.836 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.78 -30.29 62.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.317 -0.864 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.15 33.76 3.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.263 -0.898 . . . . 0.0 110.286 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 t0 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.212 0.53 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.04 -31.88 50.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.18 -0.95 . . . . 0.0 109.367 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.49 83.15 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.496 -0.881 . . . . 0.0 108.706 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 tp -70.17 -30.48 67.63 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 tt -76.75 -35.44 57.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.581 -0.699 . . . . 0.0 109.706 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -84.39 -55.33 4.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.45 -0.781 . . . . 0.0 110.408 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.0 tpt -53.73 -44.67 70.07 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.196 -0.94 . . . . 0.0 110.498 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.1 m -66.72 -42.79 85.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.298 -0.876 . . . . 0.0 110.511 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -82.95 -8.48 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.187 -0.946 . . . . 0.0 110.433 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' LYS . 26.1 t -81.21 -37.82 28.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.29 -0.881 . . . . 0.0 109.842 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -89.04 -21.94 23.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.494 -0.754 . . . . 0.0 110.307 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.276 -0.89 . . . . 0.0 110.365 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.285 0.564 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.1 p -60.92 -30.97 70.52 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.267 -0.895 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.1 m -97.23 33.68 1.92 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.391 -0.818 . . . . 0.0 110.114 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.7 mtm -129.74 121.25 26.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.834 . . . . 0.0 110.248 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.7 p -66.55 -178.42 0.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.41 -0.806 . . . . 0.0 110.284 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.68 -35.46 76.33 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.38 -0.825 . . . . 0.0 110.197 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -80.12 -32.65 39.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 110.041 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.04 -61.97 2.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.263 -0.898 . . . . 0.0 109.774 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -59.7 -25.43 64.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.374 -0.829 . . . . 0.0 109.603 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -44.83 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.426 -0.796 . . . . 0.0 109.626 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.41 69.99 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.284 -0.885 . . . . 0.0 109.559 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -82.41 -50.48 8.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.528 -0.733 . . . . 0.0 109.829 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.51 73.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.483 -0.76 . . . . 0.0 109.964 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.1 ttm -77.26 -25.61 51.66 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.321 -0.862 . . . . 0.0 109.548 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -43.66 98.36 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.506 -0.747 . . . . 0.0 110.017 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.8 mtt -76.52 -34.58 58.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.437 -0.789 . . . . 0.0 110.13 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -23.92 67.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.381 -0.824 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 N--CA 1.484 0.947 0 N-CA-C 110.74 -0.523 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -13.09 61.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.295 -0.878 . . . . 0.0 110.508 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.5 -8.06 57.2 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.191 -0.943 . . . . 0.0 110.598 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.27 122.37 0.67 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 110.009 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -76.32 -36.36 1.84 Allowed 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.968 1.509 . . . . 0.0 110.457 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.99 -35.03 77.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.352 -0.842 . . . . 0.0 109.996 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -31.49 59.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.816 . . . . 0.0 110.098 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.79 -29.53 64.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.319 -0.863 . . . . 0.0 109.942 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.3 tp -76.05 -39.92 54.48 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.429 -0.794 . . . . 0.0 109.956 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.45 77.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.418 -0.801 . . . . 0.0 110.125 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -22.6 39.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.346 -0.846 . . . . 0.0 110.173 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -86.6 -26.87 24.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.275 -0.89 . . . . 0.0 109.775 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.8 t -81.66 -29.63 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.449 -0.782 . . . . 0.0 109.97 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.2 m -81.67 -45.21 16.06 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.438 -0.789 . . . . 0.0 110.144 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.0 tpt -68.22 -41.23 81.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.486 -0.759 . . . . 0.0 110.163 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -66.14 -36.42 83.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.397 -0.814 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.12 -39.93 95.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.354 -0.842 . . . . 0.0 110.238 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.79 -39.99 87.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.33 -0.856 . . . . 0.0 110.269 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -37.34 81.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.395 -0.816 . . . . 0.0 110.202 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.53 -45.9 92.13 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.378 -0.826 . . . . 0.0 110.228 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -69.86 -34.3 73.42 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.273 -0.892 . . . . 0.0 110.202 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -78.58 -28.17 45.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.843 . . . . 0.0 110.165 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -83.99 -58.71 2.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.484 -0.76 . . . . 0.0 109.663 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -52.54 -31.77 37.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.474 -0.766 . . . . 0.0 109.439 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -84.55 -34.07 23.33 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -64.84 -53.78 41.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.468 -0.77 . . . . 0.0 109.662 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -65.97 -31.15 71.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.365 -0.834 . . . . 0.0 109.662 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -46.3 70.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.44 -0.787 . . . . 0.0 109.452 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.02 61.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.557 -0.715 . . . . 0.0 109.441 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.35 73.9 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.478 -0.764 . . . . 0.0 110.048 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.62 -37.73 20.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.367 -0.833 . . . . 0.0 110.21 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.03 -29.16 68.89 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.382 -0.824 . . . . 0.0 110.227 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.07 -27.5 23.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 110.188 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.58 -29.05 51.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.192 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.55 -1.18 40.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.322 -0.861 . . . . 0.0 110.547 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.71 -31.83 69.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.187 -0.945 . . . . 0.0 110.182 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.1 -15.39 8.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.388 -0.82 . . . . 0.0 110.706 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t70 . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 121.124 0.488 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -78.53 -33.73 47.73 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.277 -0.889 . . . . 0.0 109.112 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.35 81.96 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.518 -0.873 . . . . 0.0 108.719 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.14 -30.46 68.71 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.23 -37.73 57.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.545 -0.722 . . . . 0.0 109.465 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -79.39 -54.84 5.54 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.561 -0.712 . . . . 0.0 110.358 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 37.7 mtm -52.15 -40.3 61.19 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.182 -0.949 . . . . 0.0 110.628 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.8 m -67.67 -42.03 82.81 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.342 -0.848 . . . . 0.0 110.545 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 tp -85.21 -13.11 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.18 -0.95 . . . . 0.0 110.418 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.4 t -76.43 -36.74 57.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.205 -0.934 . . . . 0.0 109.759 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -89.99 -25.72 20.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.451 -0.781 . . . . 0.0 110.053 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.434 -0.791 . . . . 0.0 110.194 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.182 0.515 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 p -61.39 -32.43 72.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.328 -0.857 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.6 p -98.9 27.42 4.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.366 -0.834 . . . . 0.0 110.21 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 mtt -115.5 125.23 52.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.366 -0.834 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.0 p -67.39 179.31 1.3 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.428 -0.795 . . . . 0.0 110.187 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -60.08 -36.08 76.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.392 -0.817 . . . . 0.0 110.243 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -79.04 -33.34 44.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.868 . . . . 0.0 110.119 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.64 -61.51 2.37 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.304 -0.873 . . . . 0.0 110.001 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.7 -22.9 65.74 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.424 -0.798 . . . . 0.0 109.811 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.03 -45.17 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.442 -0.786 . . . . 0.0 109.83 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.01 -31.33 70.95 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.25 -0.906 . . . . 0.0 109.758 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.423 ' CE2' ' HE1' ' A' ' 99' ' ' MET . 2.6 t80 -86.4 -49.73 7.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -0.759 . . . . 0.0 110.019 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.6 77.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.437 -0.789 . . . . 0.0 110.013 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.9 ttp -81.02 -25.39 37.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.354 -0.841 . . . . 0.0 109.785 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.77 -42.18 97.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.514 -0.741 . . . . 0.0 109.979 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.423 ' HE1' ' CE2' ' A' ' 95' ' ' TYR . 36.8 mtt -82.8 -27.5 30.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.388 -0.82 . . . . 0.0 110.233 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 t -73.31 -21.2 60.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.258 -0.901 . . . . 0.0 110.515 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.269 -0.895 . . . . 0.0 110.269 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo . . . . . 0 N--CA 1.483 0.909 0 N-CA-C 110.388 -0.659 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -66.53 -23.76 66.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.151 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.31 -19.65 56.07 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.29 -0.881 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.6 119.88 0.73 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.307 -0.871 . . . . 0.0 109.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.37 -38.35 2.67 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 O-C-N 123.943 1.496 . . . . 0.0 110.407 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -39.54 92.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.355 -0.84 . . . . 0.0 109.961 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.04 -31.95 72.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.396 -0.815 . . . . 0.0 110.041 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.26 -51.5 56.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.331 -0.856 . . . . 0.0 110.185 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -39.24 84.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.87 . . . . 0.0 110.115 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.39 71.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.341 -0.849 . . . . 0.0 110.091 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.4 -23.59 61.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.359 -0.838 . . . . 0.0 110.221 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -80.45 -28.76 37.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.851 . . . . 0.0 109.167 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.9 t -77.67 -29.84 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.619 -0.676 . . . . 0.0 109.64 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -76.61 -35.68 57.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.485 -0.759 . . . . 0.0 110.125 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -43.05 74.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.352 -0.843 . . . . 0.0 109.954 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -39.4 94.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.364 -0.835 . . . . 0.0 110.002 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -42.85 99.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.322 -0.862 . . . . 0.0 109.989 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.33 -32.23 71.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.085 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -45.55 77.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.446 -0.784 . . . . 0.0 109.89 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -29.64 66.48 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.44 -0.787 . . . . 0.0 109.995 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -87.22 -41.65 13.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.478 -0.764 . . . . 0.0 110.065 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.431 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -61.02 -30.57 70.38 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.03 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -83.97 -58.98 2.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.473 -0.767 . . . . 0.0 109.779 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -52.32 -34.03 45.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.493 -0.755 . . . . 0.0 109.305 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -82.15 -33.42 29.57 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -65.77 -50.82 63.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.382 -0.824 . . . . 0.0 109.77 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -67.99 -32.55 73.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.453 -0.78 . . . . 0.0 109.769 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -47.89 69.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.0 109.302 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.73 -23.1 53.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.561 -0.712 . . . . 0.0 109.179 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.69 -31.71 72.87 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.486 -0.759 . . . . 0.0 109.989 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.84 -38.91 16.35 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.407 -0.808 . . . . 0.0 110.152 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.4 -26.52 68.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.443 -0.785 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -90.54 -29.27 17.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.379 -0.826 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 -35.96 69.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.294 -0.879 . . . . 0.0 110.174 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.52 -23.14 56.66 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.349 -0.844 . . . . 0.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.25 -26.53 33.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.401 -0.812 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.18 -28.0 9.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.239 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.439 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 -179.875 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.133 0.492 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -79.35 -34.39 42.13 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.202 -0.937 . . . . 0.0 109.392 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.63 -37.07 80.25 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.76 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.6 -29.99 66.53 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 tt -76.02 -39.37 55.85 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.792 . . . . 0.0 109.773 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -51.48 7.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.477 -0.764 . . . . 0.0 110.368 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.3 tpt -56.16 -43.9 78.78 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.209 -0.932 . . . . 0.0 110.496 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.1 m -67.05 -41.69 86.07 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.898 . . . . 0.0 110.476 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 tp -80.26 -18.09 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.168 -0.957 . . . . 0.0 110.042 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -43.76 72.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.37 -0.831 . . . . 0.0 109.66 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -27.39 48.04 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.429 -0.794 . . . . 0.0 109.804 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.405 -0.809 . . . . 0.0 110.09 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 121.169 0.509 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 t -63.45 -29.43 70.71 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.325 -0.859 . . . . 0.0 110.096 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.6 m -109.84 29.62 7.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.342 -0.849 . . . . 0.0 110.152 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.2 mtt -106.66 137.36 44.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.459 -0.775 . . . . 0.0 110.136 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.8 p -70.47 168.4 16.27 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.378 -0.826 . . . . 0.0 110.208 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.27 -31.41 65.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.359 -0.838 . . . . 0.0 110.077 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -79.69 -35.68 38.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.467 -0.771 . . . . 0.0 109.961 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.99 -62.07 1.9 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.284 -0.885 . . . . 0.0 109.848 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -59.15 -29.32 67.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.337 -0.852 . . . . 0.0 109.355 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -36.53 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.588 -0.695 . . . . 0.0 109.283 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.08 72.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.384 -0.823 . . . . 0.0 109.575 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.22 -44.0 15.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.491 -0.756 . . . . 0.0 110.076 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.76 -28.07 62.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.4 -0.812 . . . . 0.0 110.387 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.3 tpt -83.25 -24.48 32.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.382 -0.824 . . . . 0.0 109.85 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -76.06 -33.86 59.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.408 -0.808 . . . . 0.0 110.078 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.1 mmm -85.12 -27.14 26.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.337 -0.852 . . . . 0.0 110.234 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -78.56 -23.6 46.04 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.863 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.258 -0.901 . . . . 0.0 110.096 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 N--CA 1.488 1.193 0 CA-C-O 121.799 0.666 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.2 t 63.36 35.51 12.22 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.524 0.678 . . . . 0.0 109.315 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' SER . . . 36.32 37.32 0.05 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.348 0.594 . . . . 0.0 111.035 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.57 121.52 0.62 Allowed Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.33 -30.71 12.45 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.071 1.563 . . . . 0.0 110.346 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.71 -40.95 96.22 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.332 -0.855 . . . . 0.0 109.903 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -31.26 68.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.417 -0.802 . . . . 0.0 109.859 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.33 85.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.37 -0.832 . . . . 0.0 109.836 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.33 -40.07 95.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.432 -0.792 . . . . 0.0 109.939 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.3 73.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.447 -0.783 . . . . 0.0 110.008 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -24.22 62.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.799 . . . . 0.0 110.098 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.81 -28.89 44.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.842 . . . . 0.0 109.062 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.19 -26.4 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.55 -0.719 . . . . 0.0 109.691 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.56 -46.38 26.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.436 -0.79 . . . . 0.0 110.036 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -43.45 92.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.445 -0.785 . . . . 0.0 110.013 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -63.85 -39.07 93.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.414 -0.804 . . . . 0.0 110.208 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.68 -46.2 79.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.798 . . . . 0.0 110.213 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -61.44 -36.29 79.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.421 -0.799 . . . . 0.0 110.117 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.3 -40.35 95.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.441 -0.787 . . . . 0.0 110.097 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.69 -31.0 72.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.339 -0.851 . . . . 0.0 110.174 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -85.05 -45.75 11.83 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.84 . . . . 0.0 110.272 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -62.76 -27.27 69.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.336 -0.852 . . . . 0.0 110.235 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -84.26 -58.6 2.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.425 -0.797 . . . . 0.0 109.823 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -50.78 -34.99 29.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.515 -0.74 . . . . 0.0 109.46 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.9 -34.62 26.6 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.641 -0.662 . . . . 0.0 109.251 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -64.49 -51.98 60.24 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 109.743 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 -64.07 -29.94 71.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 0.0 109.766 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -57.03 -43.65 82.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.234 -0.916 . . . . 0.0 109.185 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.06 -23.76 62.2 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.899 -0.72 . . . . 0.0 109.48 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.85 -25.5 64.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.462 -0.774 . . . . 0.0 110.034 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.17 -33.62 16.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.382 -0.824 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.75 -26.74 60.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.316 -0.865 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -95.36 -27.04 15.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.357 -0.839 . . . . 0.0 110.404 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.33 -31.85 64.23 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.412 -0.805 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.16 10.49 37.55 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.462 -0.774 . . . . 0.0 110.647 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -117.4 -32.13 5.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.176 -0.953 . . . . 0.0 110.244 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.89 -26.99 9.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -0.865 . . . . 0.0 110.311 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.312 0.577 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -75.28 -28.18 59.67 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.223 -0.923 . . . . 0.0 109.163 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.63 99.33 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.58 -0.848 . . . . 0.0 108.734 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -30.17 71.13 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tt -76.35 -41.02 49.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.539 -0.725 . . . . 0.0 110.02 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -78.27 -53.0 7.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.467 -0.771 . . . . 0.0 110.3 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.4 tpt -52.23 -40.55 61.77 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.25 -0.906 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.8 m -66.68 -45.16 79.74 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.349 -0.844 . . . . 0.0 110.471 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.8 tp -80.54 -16.2 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m -70.41 -43.34 70.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.354 -0.841 . . . . 0.0 109.626 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -79.76 -28.38 40.39 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 109.787 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.41 -0.806 . . . . 0.0 109.938 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.123 0.487 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -24.0 59.74 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.337 -0.852 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.6 p -95.97 27.73 3.46 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.237 -0.915 . . . . 0.0 110.311 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 154.75 43.13 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.441 -0.787 . . . . 0.0 110.121 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.6 p -82.19 168.49 17.63 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.342 -0.849 . . . . 0.0 110.233 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.12 -29.1 63.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.44 -0.787 . . . . 0.0 110.174 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.97 -37.59 34.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.352 -0.843 . . . . 0.0 109.852 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -61.9 2.01 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.352 -0.842 . . . . 0.0 109.782 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -59.17 -27.55 65.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -0.824 . . . . 0.0 109.493 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -45.22 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.604 -0.685 . . . . 0.0 109.524 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.38 70.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 109.601 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -83.17 -26.77 30.59 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.486 -0.759 . . . . 0.0 110.039 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.62 -35.03 40.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.359 -0.838 . . . . 0.0 110.107 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.1 mtm -78.66 -25.74 44.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.311 -0.868 . . . . 0.0 109.388 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -76.23 -31.74 58.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.565 -0.71 . . . . 0.0 109.819 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -38.51 59.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.475 -0.765 . . . . 0.0 109.982 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.8 m -64.39 -48.28 76.03 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.441 -0.787 . . . . 0.0 110.112 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.397 -0.815 . . . . 0.0 110.136 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.485 0.977 0 N-CA-C 110.483 -0.622 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -63.8 -16.47 61.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.892 . . . . 0.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.99 -29.32 60.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.227 -0.921 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.98 118.21 0.67 Allowed Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.472 -0.767 . . . . 0.0 110.255 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -74.51 -36.14 3.2 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 O-C-N 123.941 1.495 . . . . 0.0 110.398 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.09 -39.8 91.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.452 -0.78 . . . . 0.0 110.289 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -71.86 -32.12 67.17 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.026 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.04 67.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.357 -0.839 . . . . 0.0 110.072 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -45.1 62.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.331 -0.855 . . . . 0.0 110.047 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.0 76.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.351 -0.843 . . . . 0.0 110.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.6 tp -75.16 -21.34 58.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.352 -0.843 . . . . 0.0 110.332 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -80.57 -30.6 36.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 0.0 109.188 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.0 t -77.77 -28.43 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.658 -0.651 . . . . 0.0 109.703 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 m -77.66 -36.88 50.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.482 -0.761 . . . . 0.0 109.995 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.3 mtm -68.87 -37.13 78.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.453 -0.779 . . . . 0.0 110.037 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.88 -40.82 79.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.41 -0.807 . . . . 0.0 110.1 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -60.75 -44.82 96.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.271 -0.893 . . . . 0.0 110.058 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -33.11 72.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.331 -0.856 . . . . 0.0 110.023 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -37.18 71.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.431 -0.793 . . . . 0.0 109.928 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.65 -41.48 90.63 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.494 -0.754 . . . . 0.0 110.082 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -46.16 65.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.41 -0.806 . . . . 0.0 109.994 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -65.12 -24.73 67.5 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.32 -0.862 . . . . 0.0 110.035 179.763 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -83.82 -58.56 2.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.452 -0.78 . . . . 0.0 109.514 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.86 -33.35 35.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.515 -0.741 . . . . 0.0 109.323 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -83.24 -33.64 26.03 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -64.39 -54.24 35.99 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.481 -0.762 . . . . 0.0 109.581 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 ptt85 -65.88 -30.44 71.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.442 -0.786 . . . . 0.0 109.575 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -44.41 68.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.376 -0.828 . . . . 0.0 109.312 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.87 -24.58 59.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.546 -0.721 . . . . 0.0 109.373 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.58 -34.82 77.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.507 -0.745 . . . . 0.0 109.972 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.89 -38.93 16.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.414 -0.804 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.12 -37.11 83.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.405 -0.809 . . . . 0.0 110.084 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -32.91 37.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.429 -0.795 . . . . 0.0 110.063 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.15 -28.94 64.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.36 -0.838 . . . . 0.0 110.04 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.47 16.95 14.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.457 -0.777 . . . . 0.0 110.242 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.38 -43.87 0.77 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 0.0 109.912 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.44 -26.91 60.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 0.0 109.924 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.372 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 179.88 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.194 0.521 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.79 -31.5 57.03 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.16 -0.962 . . . . 0.0 109.242 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.24 78.33 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.531 -0.867 . . . . 0.0 108.86 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.437 ' O ' ' CG2' ' A' ' 70' ' ' THR . 7.8 tt -61.01 -28.58 69.15 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 tt -77.26 -33.99 55.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.635 -0.665 . . . . 0.0 109.616 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -82.94 -56.74 3.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.493 -0.754 . . . . 0.0 110.107 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.9 mtt -52.22 -37.96 56.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.274 -0.891 . . . . 0.0 110.734 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 66' ' ' LEU . 7.7 t -72.05 -39.13 69.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.2 -0.938 . . . . 0.0 110.277 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.426 ' N ' ' CG2' ' A' ' 70' ' ' THR . 4.0 tp -85.71 -8.01 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.266 -0.896 . . . . 0.0 110.34 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -85.28 -40.12 16.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 109.754 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -92.45 -20.3 21.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.438 -0.789 . . . . 0.0 110.19 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.873 . . . . 0.0 110.427 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 121.054 0.454 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -32.67 69.36 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.376 -0.828 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -119.24 44.95 2.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 110.212 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 mtt -110.76 140.08 45.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.398 -0.814 . . . . 0.0 110.142 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.7 p -73.34 171.02 13.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.462 -0.774 . . . . 0.0 110.31 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.87 -33.55 66.96 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.184 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -80.62 -33.74 35.6 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.348 -0.845 . . . . 0.0 110.164 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -55.95 -62.26 1.82 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.318 -0.864 . . . . 0.0 110.013 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.07 -25.02 66.65 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.46 -0.775 . . . . 0.0 109.595 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.66 -43.71 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.464 -0.772 . . . . 0.0 109.623 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.98 -30.07 70.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.351 -0.843 . . . . 0.0 109.657 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -85.92 -46.26 10.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.468 -0.77 . . . . 0.0 110.026 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.9 64.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 110.18 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.1 ttm -83.22 -29.34 28.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 109.672 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -68.84 -32.92 72.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.459 -0.776 . . . . 0.0 109.862 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.9 mmm -87.27 -21.6 25.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.481 -0.762 . . . . 0.0 110.205 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -81.85 -28.49 32.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.267 -0.896 . . . . 0.0 110.365 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.332 -0.855 . . . . 0.0 110.132 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 N--CA 1.484 0.969 0 N-CA-C 110.356 -0.671 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -21.92 65.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.363 -0.835 . . . . 0.0 109.945 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.48 49.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.311 -0.868 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -148.85 109.7 3.52 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -74.69 -40.13 1.14 Allowed 'Trans proline' 0 C--N 1.306 -1.676 0 O-C-N 124.084 1.57 . . . . 0.0 110.421 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.45 -41.78 69.85 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.34 -0.85 . . . . 0.0 110.201 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.91 -38.08 85.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.361 -0.837 . . . . 0.0 109.795 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.21 78.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.519 -0.738 . . . . 0.0 110.057 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.65 -34.2 64.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.304 -0.872 . . . . 0.0 109.976 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.82 97.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.382 -0.824 . . . . 0.0 110.083 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.8 tp -76.15 -21.56 56.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.318 -0.864 . . . . 0.0 110.311 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -80.56 -29.32 37.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.877 . . . . 0.0 109.389 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.63 -28.81 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.566 -0.708 . . . . 0.0 109.796 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 t -74.84 -45.61 42.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.444 -0.785 . . . . 0.0 110.033 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -64.09 -37.95 89.3 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.416 -0.803 . . . . 0.0 110.075 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.7 -34.32 75.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.427 -0.795 . . . . 0.0 110.088 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.71 -51.36 67.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.361 -0.837 . . . . 0.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -58.63 -33.16 69.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.313 -0.867 . . . . 0.0 110.149 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -40.02 67.23 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.393 -0.817 . . . . 0.0 110.031 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -35.76 69.76 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.406 -0.809 . . . . 0.0 110.091 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -43.07 63.57 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.425 -0.797 . . . . 0.0 109.908 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -72.71 -21.93 60.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.426 -0.796 . . . . 0.0 110.071 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.44 -58.34 3.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.47 -0.769 . . . . 0.0 109.538 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.56 -31.81 37.8 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.421 -0.799 . . . . 0.0 109.148 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -84.59 -34.64 23.12 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -64.39 -53.9 41.2 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.47 -0.769 . . . . 0.0 109.501 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 ptt85 -63.56 -30.95 71.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.388 -0.82 . . . . 0.0 109.571 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -44.56 71.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.42 -0.8 . . . . 0.0 109.273 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.96 -23.18 60.64 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.502 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.97 -34.0 74.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.495 -0.753 . . . . 0.0 110.052 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.73 -39.88 15.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.406 -0.809 . . . . 0.0 110.167 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.47 -28.03 68.01 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.318 -0.864 . . . . 0.0 110.143 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.23 -28.34 15.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.377 -0.827 . . . . 0.0 110.111 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.27 -25.87 66.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.372 -0.83 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.41 -26.45 65.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.342 -0.849 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.26 -33.01 72.6 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.405 -0.81 . . . . 0.0 110.13 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.36 -28.51 38.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.327 -0.858 . . . . 0.0 110.103 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.182 0.515 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.6 -32.15 53.43 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.215 -0.928 . . . . 0.0 109.331 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.12 81.15 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.5 -0.88 . . . . 0.0 108.823 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -30.95 67.79 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -74.52 -40.9 61.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.556 -0.715 . . . . 0.0 109.616 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' SER . 8.4 mmtt -81.07 -53.37 6.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.545 -0.722 . . . . 0.0 110.334 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 ttt -54.08 -41.13 67.87 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.206 -0.934 . . . . 0.0 110.636 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -68.1 -43.32 78.74 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.27 -0.894 . . . . 0.0 110.552 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.6 tp -83.44 -13.17 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 110.511 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 48.3 t -75.5 -46.18 33.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 0.0 109.887 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -79.41 -28.32 41.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.399 -0.813 . . . . 0.0 110.018 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.365 -0.834 . . . . 0.0 110.111 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.226 0.536 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -21.39 65.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.301 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -95.04 25.88 3.96 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 110.402 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 8.8 mtm -133.03 155.72 48.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.306 -0.871 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 76.2 p -57.56 155.24 9.95 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.349 -0.845 . . . . 0.0 110.067 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.64 -26.95 36.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.303 -0.873 . . . . 0.0 110.342 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -85.48 -34.62 21.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.424 -0.797 . . . . 0.0 110.116 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.03 -59.53 5.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.304 -0.873 . . . . 0.0 109.206 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 1.5 pt20 -59.8 -21.65 61.14 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.482 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.4 ' N ' ' HG3' ' A' ' 92' ' ' GLN . 0.2 OUTLIER -75.06 -45.58 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.452 -0.78 . . . . 0.0 109.366 179.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.22 68.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -0.834 . . . . 0.0 109.566 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -81.36 -37.21 28.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.562 -0.712 . . . . 0.0 110.064 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.41 -30.56 66.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.337 -0.852 . . . . 0.0 110.283 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -25.42 37.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.349 -0.844 . . . . 0.0 109.746 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -36.65 68.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.452 -0.78 . . . . 0.0 109.894 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 38.3 tpp -79.32 -26.23 42.21 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.448 -0.782 . . . . 0.0 110.194 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.7 p -73.95 -28.31 61.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.355 -0.84 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.346 -0.846 . . . . 0.0 110.201 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.486 1.031 0 N-CA-C 110.652 -0.557 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 t -60.06 -22.59 62.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.297 -0.877 . . . . 0.0 110.269 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.95 -23.74 66.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.313 -0.867 . . . . 0.0 110.346 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -169.54 123.64 0.68 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 0.0 110.008 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -75.71 -40.16 0.82 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 124.027 1.54 . . . . 0.0 110.414 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.29 -38.71 90.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -32.55 66.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.431 -0.793 . . . . 0.0 110.147 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -34.84 67.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.361 -0.837 . . . . 0.0 110.175 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -44.24 77.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.39 -0.819 . . . . 0.0 109.974 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.2 72.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 110.045 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -21.31 62.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.458 -0.776 . . . . 0.0 110.224 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -84.98 -33.54 22.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -0.874 . . . . 0.0 109.448 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.0 t -72.9 -29.03 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.458 -0.776 . . . . 0.0 109.824 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -79.27 -46.17 18.32 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.442 -0.786 . . . . 0.0 110.123 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.7 tpp -64.5 -33.83 76.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 0.0 110.045 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -72.0 -36.63 69.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.31 -0.869 . . . . 0.0 110.086 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.57 -43.87 83.81 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.354 -0.841 . . . . 0.0 109.941 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -36.37 82.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.369 -0.832 . . . . 0.0 110.002 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -35.72 75.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.371 -0.83 . . . . 0.0 110.049 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.54 -39.36 90.79 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.337 -0.852 . . . . 0.0 110.001 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.9 mtt85 -71.8 -37.38 70.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.819 . . . . 0.0 109.926 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 4.4 tp-100 -74.91 -24.61 58.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.44 -0.788 . . . . 0.0 110.137 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -77.32 -53.96 7.05 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.82 . . . . 0.0 109.417 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.27 -32.4 56.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.373 -0.83 . . . . 0.0 108.813 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.36 -36.04 21.01 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.709 -0.619 . . . . 0.0 109.39 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -67.41 -56.86 7.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.349 -0.844 . . . . 0.0 109.783 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -59.52 -36.19 75.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.388 -0.82 . . . . 0.0 110.151 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -42.63 76.96 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.293 -0.879 . . . . 0.0 110.041 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.79 -28.24 63.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.384 -0.823 . . . . 0.0 109.906 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.49 64.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.382 -0.824 . . . . 0.0 110.096 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.51 -39.27 88.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.401 -0.812 . . . . 0.0 110.147 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -34.65 78.88 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.331 -0.856 . . . . 0.0 110.09 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -51.97 9.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.369 -0.832 . . . . 0.0 110.118 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.3 -24.19 66.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.412 -0.805 . . . . 0.0 110.207 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.67 20.54 8.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.887 . . . . 0.0 110.405 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -149.56 -59.88 0.21 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.872 . . . . 0.0 110.221 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.06 29.11 7.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.344 -0.848 . . . . 0.0 110.245 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.385 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.258 0.551 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -77.36 -32.07 54.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.184 -0.948 . . . . 0.0 109.27 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.74 82.72 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.419 -0.913 . . . . 0.0 108.641 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -30.67 68.9 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -75.99 -43.0 46.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.591 -0.693 . . . . 0.0 109.596 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -74.92 -52.7 10.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.464 -0.773 . . . . 0.0 110.021 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.6 ttt -51.47 -37.54 49.4 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.378 -0.826 . . . . 0.0 110.648 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -68.34 -45.63 72.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.284 -0.885 . . . . 0.0 110.405 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.5 tp -82.8 -12.07 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.233 -0.917 . . . . 0.0 110.33 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.88 -45.68 34.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.923 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.95 -25.29 34.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.35 -0.844 . . . . 0.0 110.191 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.283 0.563 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -13.7 62.41 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.365 -0.834 . . . . 0.0 110.492 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.11 29.33 2.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.2 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 39.4 mtt -113.02 131.39 55.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.373 -0.829 . . . . 0.0 110.11 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.438 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 69.3 p -65.26 -172.42 0.1 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.371 -0.831 . . . . 0.0 110.414 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.9 -33.34 75.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.526 -0.734 . . . . 0.0 110.155 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -84.58 -31.69 24.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.459 -0.776 . . . . 0.0 110.224 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' HB2' ' N ' ' A' ' 88' ' ' THR . 5.4 mt-10 -58.82 -61.9 2.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.225 -0.922 . . . . 0.0 109.602 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -59.32 -29.63 67.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.34 -0.85 . . . . 0.0 109.212 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -34.54 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.4 -34.7 77.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.422 -0.799 . . . . 0.0 109.357 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.41 -44.01 30.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.556 -0.715 . . . . 0.0 109.958 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.13 81.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.498 -0.751 . . . . 0.0 110.255 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.7 mtp -77.19 -24.3 51.39 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.334 -0.854 . . . . 0.0 109.556 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.15 -46.29 74.5 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.496 -0.752 . . . . 0.0 109.804 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 29.9 mtm -69.87 -32.53 70.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.396 -0.815 . . . . 0.0 109.987 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -26.72 53.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.337 -0.852 . . . . 0.0 110.126 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.873 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 17' ' ' SER . 37.2 Cg_endo . . . . . 0 N--CA 1.483 0.909 0 N-CA-C 110.43 -0.642 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER 70.38 48.23 0.49 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.231 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.86 27.93 0.53 Allowed 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.712 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.08 117.47 1.02 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.256 -0.902 . . . . 0.0 110.472 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.33 -37.21 2.65 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 O-C-N 124.077 1.567 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.4 -42.85 99.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.37 -0.831 . . . . 0.0 109.873 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.61 -32.08 73.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.366 -0.834 . . . . 0.0 110.017 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -58.09 7.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.417 -0.802 . . . . 0.0 110.057 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.96 -30.21 70.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.343 -0.848 . . . . 0.0 110.115 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.53 88.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.362 -0.836 . . . . 0.0 109.957 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -23.67 66.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.395 -0.816 . . . . 0.0 110.083 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -78.6 -30.06 46.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.361 -0.837 . . . . 0.0 109.084 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.95 -31.13 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.457 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -37.01 62.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.411 -0.806 . . . . 0.0 109.819 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.3 mtt -61.96 -46.02 91.09 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.496 -0.753 . . . . 0.0 109.845 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -61.52 -43.93 97.97 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.915 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -32.21 70.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.392 -0.817 . . . . 0.0 109.909 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.17 -41.46 94.62 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.378 -0.826 . . . . 0.0 109.843 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -47.81 84.35 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.373 -0.83 . . . . 0.0 109.762 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -56.9 -29.61 63.16 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.398 -0.814 . . . . 0.0 109.749 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -42.58 34.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.543 -0.723 . . . . 0.0 109.768 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 1.8 tm0? -64.5 -29.58 70.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.372 -0.83 . . . . 0.0 109.896 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -83.52 -56.38 3.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.441 -0.787 . . . . 0.0 109.539 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.06 -31.96 44.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.425 -0.797 . . . . 0.0 109.246 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -85.31 -33.51 22.08 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -65.0 -51.78 59.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.436 -0.79 . . . . 0.0 109.648 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -65.63 -31.83 73.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 109.57 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -53.61 -47.84 69.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.831 . . . . 0.0 109.262 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.75 -25.05 65.43 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.127 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.96 79.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.608 -0.682 . . . . 0.0 109.931 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.37 -41.35 14.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.432 -0.792 . . . . 0.0 110.045 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.27 69.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.345 -0.847 . . . . 0.0 110.066 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.9 t -84.41 -39.02 19.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.404 -0.81 . . . . 0.0 110.134 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.9 69.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.409 -0.807 . . . . 0.0 110.098 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.41 -8.45 56.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.392 -0.817 . . . . 0.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -104.84 -42.49 5.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.229 -0.919 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.18 27.86 7.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.831 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.223 0.535 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.7 -28.45 60.81 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.266 -0.896 . . . . 0.0 109.176 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.81 95.75 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.566 -0.854 . . . . 0.0 108.796 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -28.36 69.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.03 -47.72 27.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.413 -0.804 . . . . 0.0 109.874 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -79.45 -51.52 9.25 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.399 -0.813 . . . . 0.0 110.678 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.9 tpt -54.01 -37.84 64.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.147 -0.971 . . . . 0.0 110.776 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.2 m -72.73 -41.39 65.22 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.203 -0.935 . . . . 0.0 110.65 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 tp -81.36 -18.8 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.127 -0.983 . . . . 0.0 110.056 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.2 m -73.82 -37.31 64.9 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.36 -0.837 . . . . 0.0 109.427 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.65 -25.69 38.13 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.487 -0.758 . . . . 0.0 109.948 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.418 -0.801 . . . . 0.0 110.238 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.2 mt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.182 0.515 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.3 t -60.11 -28.75 68.11 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.327 -0.858 . . . . 0.0 110.25 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.2 m -103.52 46.39 0.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.334 -0.853 . . . . 0.0 110.226 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 mtt -135.93 122.12 20.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.352 -0.843 . . . . 0.0 110.214 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.44 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 64.0 p -66.13 -173.17 0.17 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.393 -0.817 . . . . 0.0 110.268 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.2 -33.52 73.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.479 -0.763 . . . . 0.0 110.204 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -82.57 -33.55 28.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.41 -0.807 . . . . 0.0 110.371 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.44 ' HB2' ' N ' ' A' ' 88' ' ' THR . 28.1 mm-40 -57.29 -62.12 2.0 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.24 -0.912 . . . . 0.0 109.844 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -59.34 -29.11 67.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.286 -0.884 . . . . 0.0 109.29 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 mt -71.8 -33.53 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.577 -0.702 . . . . 0.0 109.223 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.17 -28.6 69.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.378 -0.826 . . . . 0.0 109.439 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.58 -40.48 16.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.478 -0.764 . . . . 0.0 110.179 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.12 -27.77 48.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.36 -0.838 . . . . 0.0 110.349 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.2 ttm -83.09 -27.74 30.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.88 . . . . 0.0 109.732 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -75.54 -34.91 60.79 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.437 -0.789 . . . . 0.0 109.986 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.7 mmm -80.1 -28.43 39.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.426 -0.796 . . . . 0.0 110.004 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.8 t -76.18 -28.38 57.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.365 -0.834 . . . . 0.0 110.038 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.343 -0.848 . . . . 0.0 110.114 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.485 0.988 0 N-CA-C 110.397 -0.655 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -21.42 66.73 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.318 -0.864 . . . . 0.0 110.289 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.25 -35.55 37.66 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.185 -0.947 . . . . 0.0 110.429 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.37 119.93 0.6 Allowed Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.358 -0.839 . . . . 0.0 110.075 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -75.22 -35.06 3.2 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 O-C-N 123.958 1.504 . . . . 0.0 110.394 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -32.96 74.75 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.359 -0.838 . . . . 0.0 110.159 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -27.75 43.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.503 -0.748 . . . . 0.0 110.203 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.66 -46.69 65.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.795 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.85 -40.01 79.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.294 -0.879 . . . . 0.0 110.125 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.59 71.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.305 -0.872 . . . . 0.0 110.177 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -21.63 66.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.286 -0.884 . . . . 0.0 110.165 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -32.81 39.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.355 -0.841 . . . . 0.0 109.078 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.4 t -69.28 -31.54 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.522 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -40.44 61.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.454 -0.779 . . . . 0.0 109.883 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtp -61.7 -44.43 96.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.422 -0.799 . . . . 0.0 109.977 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.72 -38.91 89.65 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 0.0 109.939 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.56 -36.07 79.58 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.374 -0.829 . . . . 0.0 109.996 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -38.28 89.96 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.366 -0.834 . . . . 0.0 109.852 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -40.23 96.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.394 -0.816 . . . . 0.0 109.963 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.94 -40.12 92.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.43 -0.794 . . . . 0.0 110.048 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -44.61 66.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.451 -0.781 . . . . 0.0 109.903 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.425 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -66.97 -24.33 66.04 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.385 -0.822 . . . . 0.0 110.015 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -83.83 -54.42 4.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.42 -0.8 . . . . 0.0 109.57 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -52.88 -34.25 53.86 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.306 -0.871 . . . . 0.0 109.017 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.01 -34.66 24.26 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.752 -0.592 . . . . 0.0 109.412 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -68.61 -56.43 8.25 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.345 -0.847 . . . . 0.0 109.85 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -59.05 -35.99 74.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.424 -0.797 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -57.61 -49.78 75.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.264 -0.897 . . . . 0.0 109.966 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.15 -27.81 66.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.349 -0.844 . . . . 0.0 109.946 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.75 83.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.392 -0.817 . . . . 0.0 110.032 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.0 68.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 110.062 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.31 -33.9 61.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.417 -0.802 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -68.61 -33.25 73.72 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.329 -0.857 . . . . 0.0 110.095 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.74 -32.71 41.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.152 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.44 -10.94 47.46 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.426 -0.796 . . . . 0.0 110.477 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -111.49 -51.29 2.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.285 -0.884 . . . . 0.0 110.248 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.0 24.8 10.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 110.383 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 179.904 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.337 0.589 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -75.05 -29.0 60.61 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.242 -0.911 . . . . 0.0 109.152 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.47 -35.75 80.3 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.554 -0.858 . . . . 0.0 108.795 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -31.58 67.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 tt -75.55 -38.05 59.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.478 -0.764 . . . . 0.0 109.508 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -80.57 -53.16 6.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.526 -0.734 . . . . 0.0 110.287 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.4 mmt -55.24 -41.08 71.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.132 -0.98 . . . . 0.0 110.467 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.1 m -66.0 -45.72 80.56 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.288 -0.882 . . . . 0.0 110.37 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.3 tp -80.93 -15.14 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.198 -0.939 . . . . 0.0 110.178 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' LYS . 40.8 t -72.2 -35.3 68.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.377 -0.827 . . . . 0.0 109.704 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -88.4 -25.03 22.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.447 -0.783 . . . . 0.0 110.049 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 110.422 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 121.076 0.465 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -12.56 61.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.238 -0.913 . . . . 0.0 110.605 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.0 t -73.23 -22.94 60.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.131 -0.98 . . . . 0.0 110.534 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.411 ' HB2' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -109.21 -162.81 0.83 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.294 -0.879 . . . . 0.0 110.474 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.3 p -96.65 170.04 9.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.277 -0.889 . . . . 0.0 110.484 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.17 -36.9 76.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.405 -0.81 . . . . 0.0 109.999 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 6.0 mt-10 -71.13 -35.95 71.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 109.795 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' CB ' ' HB2' ' A' ' 87' ' ' MET . 4.9 mm-40 -56.7 -57.51 12.1 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.298 -0.876 . . . . 0.0 109.676 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -60.53 -32.92 71.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.337 -0.852 . . . . 0.0 109.055 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -65.19 -40.79 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.795 -0.566 . . . . 0.0 109.512 179.474 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.5 -23.36 67.25 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.27 -0.894 . . . . 0.0 109.733 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -86.34 -36.3 19.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.396 -0.815 . . . . 0.0 110.174 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.99 -31.79 27.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.344 -0.848 . . . . 0.0 110.377 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 27.7 mtt -81.13 -28.4 35.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.742 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -77.97 -43.13 30.6 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.899 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.6 tpp -66.48 -30.45 70.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.424 -0.797 . . . . 0.0 109.855 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 t -81.35 -20.32 40.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.417 -0.802 . . . . 0.0 110.284 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.277 -0.889 . . . . 0.0 110.241 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 N--CA 1.484 0.966 0 N-CA-C 110.695 -0.54 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -63.45 -16.84 61.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.273 -0.892 . . . . 0.0 110.303 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.24 75.82 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.165 -0.959 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.42 120.46 0.61 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.103 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -74.76 -34.98 3.69 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 O-C-N 123.974 1.513 . . . . 0.0 110.515 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.44 -38.82 88.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.293 -0.88 . . . . 0.0 110.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -73.24 -30.23 63.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.403 -0.811 . . . . 0.0 110.06 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.64 -55.06 26.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.35 -0.844 . . . . 0.0 109.984 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.96 -34.67 78.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.338 -0.851 . . . . 0.0 110.026 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.58 76.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.356 -0.84 . . . . 0.0 110.159 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.81 -26.29 68.67 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 109.841 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -82.34 -25.23 34.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 0.0 109.786 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.8 t -77.65 -39.48 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.427 -0.796 . . . . 0.0 109.784 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -70.51 -43.13 70.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.371 -0.831 . . . . 0.0 109.877 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.45 -37.55 86.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.388 -0.82 . . . . 0.0 109.976 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -38.47 91.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.447 -0.783 . . . . 0.0 109.966 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.06 -40.78 96.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 109.985 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -38.52 88.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.274 -0.891 . . . . 0.0 110.0 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -35.33 74.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.298 -0.876 . . . . 0.0 109.813 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -59.19 -37.17 76.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.373 -0.83 . . . . 0.0 109.986 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -72.86 -37.99 67.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.41 -0.807 . . . . 0.0 109.969 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.6 mt-30 -72.22 -19.42 61.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.398 -0.814 . . . . 0.0 110.179 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -83.68 -56.04 3.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.575 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -53.97 -31.89 52.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 109.09 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.49 -35.73 22.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.637 -0.664 . . . . 0.0 109.493 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -69.69 -55.34 10.23 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.329 -0.857 . . . . 0.0 109.932 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -59.66 -35.38 74.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.561 -0.712 . . . . 0.0 110.1 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -58.27 -48.01 81.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.373 -0.83 . . . . 0.0 110.145 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.12 -29.25 54.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.393 -0.817 . . . . 0.0 109.982 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.18 -31.08 70.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.346 -0.846 . . . . 0.0 110.093 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.64 -38.2 29.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.422 -0.799 . . . . 0.0 110.087 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.91 -29.3 68.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.205 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.41 -37.1 17.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 110.225 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.98 -24.86 67.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.37 -0.831 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.03 17.34 23.17 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.37 -30.77 12.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.298 -0.876 . . . . 0.0 110.008 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.89 18.16 1.97 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.382 -0.824 . . . . 0.0 110.274 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.243 0.544 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -76.18 -28.43 57.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.256 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.12 99.31 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.489 -0.885 . . . . 0.0 108.765 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.04 71.48 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.31 -42.25 59.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.67 -0.644 . . . . 0.0 109.833 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -52.96 8.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.439 -0.788 . . . . 0.0 110.154 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.3 ttt -49.71 -38.26 32.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.304 -0.873 . . . . 0.0 110.57 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -70.67 -42.31 70.92 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.38 -0.825 . . . . 0.0 110.546 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -83.3 -12.92 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.244 -0.91 . . . . 0.0 110.404 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -77.21 -47.45 20.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.325 -0.859 . . . . 0.0 109.845 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -78.9 -24.02 44.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.454 -0.779 . . . . 0.0 110.056 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.334 -0.854 . . . . 0.0 110.276 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.154 0.502 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -27.06 67.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.358 -0.838 . . . . 0.0 110.224 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.3 t -97.76 34.99 1.76 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.38 -0.825 . . . . 0.0 110.273 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.8 mtt -124.12 136.46 54.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -0.839 . . . . 0.0 110.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.4 p -71.14 173.29 7.83 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.37 -0.832 . . . . 0.0 110.225 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -58.3 -34.41 70.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.406 -0.809 . . . . 0.0 110.249 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -80.81 -33.14 34.96 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.384 -0.823 . . . . 0.0 110.086 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.51 -62.09 1.97 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.243 -0.91 . . . . 0.0 109.908 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -60.2 -29.41 68.71 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.291 -0.88 . . . . 0.0 109.421 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -46.83 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.578 -0.701 . . . . 0.0 109.436 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.76 -37.68 71.4 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.44 -0.787 . . . . 0.0 109.625 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -82.46 -27.74 31.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.484 -0.76 . . . . 0.0 109.851 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.38 -38.44 63.16 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.449 -0.782 . . . . 0.0 110.144 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.9 mtt -80.34 -22.29 41.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.8 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -44.61 37.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.436 -0.79 . . . . 0.0 110.037 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.9 mmm -70.07 -31.9 69.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.354 -0.841 . . . . 0.0 109.993 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 m -66.47 -49.75 65.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.45 -0.782 . . . . 0.0 110.215 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.406 -0.809 . . . . 0.0 110.486 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 22.2 m170 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.221 0.534 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 mmm -96.02 179.02 5.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.379 -0.826 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mt -111.9 25.01 12.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.378 -0.826 . . . . 0.0 109.574 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.18 62.59 2.84 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tp -151.52 33.27 0.56 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.366 -1.079 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.9 90.11 0.61 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.04 -47.85 7.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.377 -1.072 . . . . 0.0 110.235 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 p -110.6 -23.32 11.16 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.408 -0.808 . . . . 0.0 110.345 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -28.3 61.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.294 -0.879 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.401 ' CD1' HG12 ' A' ' 14' ' ' VAL . 29.3 m-85 -142.45 108.73 5.26 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.415 -0.803 . . . . 0.0 110.201 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -92.72 58.63 3.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.318 -0.864 . . . . 0.0 110.191 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 48.6 m-85 52.06 28.25 5.19 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.41 -0.806 . . . . 0.0 110.447 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.32 46.61 1.1 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG12 ' CD1' ' A' ' 10' ' ' PHE . 34.9 m -139.67 -40.34 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.405 -1.056 . . . . 0.0 110.47 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 21.3 p-10 -127.59 133.57 25.24 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.281 -0.887 . . . . 0.0 110.348 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.66 -24.95 21.24 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.503 1.264 . . . . 0.0 110.436 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -61.15 -22.4 64.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.891 . . . . 0.0 110.206 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -16.68 61.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 110.343 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -157.17 116.08 1.99 Allowed Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.294 -0.879 . . . . 0.0 110.137 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.27 -45.02 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 O-C-N 123.928 1.489 . . . . 0.0 110.664 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -61.64 -51.11 69.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.299 -0.875 . . . . 0.0 110.204 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.17 -30.33 71.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.439 -0.788 . . . . 0.0 110.148 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.98 -54.19 45.14 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.364 -0.835 . . . . 0.0 110.106 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.33 -37.48 87.41 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.331 -0.856 . . . . 0.0 110.048 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.4 75.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.402 -0.811 . . . . 0.0 110.029 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -24.88 58.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.441 -0.787 . . . . 0.0 110.202 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.29 -31.23 23.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 0.0 109.463 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.0 t -80.64 -28.29 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.619 -0.675 . . . . 0.0 109.817 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.7 m -77.75 -46.35 21.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.451 -0.781 . . . . 0.0 110.032 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -40.84 97.99 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.367 -0.833 . . . . 0.0 109.949 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -69.29 -32.35 71.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.406 -0.809 . . . . 0.0 110.043 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.88 -50.97 60.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.382 -0.824 . . . . 0.0 110.076 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -35.55 75.77 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.325 -0.859 . . . . 0.0 110.069 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -46.26 91.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.344 -0.848 . . . . 0.0 110.049 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -59.38 -35.05 73.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.352 -0.843 . . . . 0.0 109.982 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.35 -45.67 65.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.41 -0.806 . . . . 0.0 109.925 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 2.0 tt0 -71.58 -23.15 61.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.445 -0.785 . . . . 0.0 110.109 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -83.69 -57.35 3.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.393 -0.817 . . . . 0.0 109.738 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.61 -32.59 42.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.464 -0.773 . . . . 0.0 109.315 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -32.71 23.63 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -66.17 -52.19 50.59 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.857 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -66.31 -31.64 72.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.339 -0.851 . . . . 0.0 109.825 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -54.47 -49.24 70.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.319 -0.863 . . . . 0.0 109.195 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.05 -23.76 64.09 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.866 -0.734 . . . . 0.0 109.218 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.26 73.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.535 -0.728 . . . . 0.0 109.991 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.08 -39.48 12.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.393 -0.817 . . . . 0.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -32.82 74.07 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.39 -0.819 . . . . 0.0 110.139 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 t -89.42 -31.85 17.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.347 -0.846 . . . . 0.0 110.15 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.56 93.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.355 -0.841 . . . . 0.0 110.108 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.54 -25.65 12.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.318 -0.864 . . . . 0.0 110.316 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 52.39 79.07 0.12 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.333 -0.854 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 52.18 27.12 4.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.395 -0.816 . . . . 0.0 110.487 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.79 -51.23 1.55 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.4 tp -91.96 -22.57 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.376 -1.073 . . . . 0.0 110.413 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.98 103.42 14.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.258 -0.901 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.6 p -61.58 147.86 44.19 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.319 -0.863 . . . . 0.0 110.135 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -134.89 37.72 3.04 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.342 -0.849 . . . . 0.0 110.209 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.28 61.43 0.33 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 t -90.36 55.63 3.11 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.382 -1.069 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -91.5 57.33 3.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.65 -28.83 61.98 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.345 -0.847 . . . . 0.0 110.135 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 m -117.56 72.38 0.84 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.345 -0.847 . . . . 0.0 110.231 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -59.82 -29.2 68.09 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.323 -0.861 . . . . 0.0 110.203 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -76.09 -31.02 58.51 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.236 -0.915 . . . . 0.0 109.095 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.05 97.95 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.759 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.59 -30.63 71.72 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -37.94 60.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.6 -0.688 . . . . 0.0 109.632 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -79.19 -57.39 3.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.413 -0.804 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -37.26 50.32 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.223 -0.923 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.0 m -68.4 -44.17 75.64 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.367 -0.833 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.1 tp -82.03 -15.38 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.234 -0.916 . . . . 0.0 110.113 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.7 p -71.96 -41.97 67.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.37 -0.831 . . . . 0.0 109.676 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -29.21 33.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.469 -0.769 . . . . 0.0 109.918 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -79.5 -33.05 42.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.437 -0.789 . . . . 0.0 110.149 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -74.87 -48.49 24.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.339 -0.851 . . . . 0.0 110.19 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -69.06 -32.36 71.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.355 -0.841 . . . . 0.0 110.273 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.25 -30.81 66.8 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -92.74 -43.75 8.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.439 -1.036 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.449 ' O ' ' CG2' ' A' ' 79' ' ' THR . 52.3 m 52.07 26.52 3.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 109.97 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.423 ' O ' ' HG ' ' A' ' 81' ' ' LEU . . . 104.88 -93.85 0.97 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.921 -1.671 . . . . 0.0 108.921 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 80' ' ' GLY . 0.2 OUTLIER -175.53 111.76 0.26 Allowed Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.619 -0.93 . . . . 0.0 110.014 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.59 -27.74 12.58 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.706 1.371 . . . . 0.0 110.422 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.92 119.58 8.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.313 -0.867 . . . . 0.0 110.317 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 mp -87.46 -43.98 11.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.361 -0.837 . . . . 0.0 110.197 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.5 p -59.75 -25.53 64.93 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.376 -0.828 . . . . 0.0 110.417 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -96.18 41.15 1.11 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.303 -0.873 . . . . 0.0 110.286 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 26.7 mtm -150.67 138.17 19.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.319 -0.863 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.7 p -62.1 175.41 0.71 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.15 -33.37 72.08 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.343 -0.848 . . . . 0.0 110.206 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -81.51 -34.73 31.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.29 -0.881 . . . . 0.0 109.997 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.85 -58.9 5.92 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.344 -0.847 . . . . 0.0 109.866 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -62.01 -30.96 71.31 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.376 -0.827 . . . . 0.0 109.301 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -40.08 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.501 -0.749 . . . . 0.0 109.586 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.27 91.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.436 -0.79 . . . . 0.0 109.624 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -65.87 -39.59 90.85 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.451 -0.78 . . . . 0.0 109.978 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.11 78.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.467 -0.771 . . . . 0.0 110.255 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.43 -27.9 41.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.0 109.577 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -63.34 -34.75 78.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.452 -0.78 . . . . 0.0 109.74 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -28.43 30.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.494 -0.754 . . . . 0.0 110.024 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.7 m -95.06 11.08 33.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.57 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 tp -81.24 -29.66 34.38 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.223 -0.923 . . . . 0.0 110.105 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -112.4 71.17 0.73 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.367 -0.833 . . . . 0.0 110.199 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.22 105.37 2.61 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -166.98 103.7 0.55 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.301 -1.117 . . . . 0.0 110.17 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -21.01 40.08 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.383 -0.823 . . . . 0.0 110.465 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -144.92 -60.18 0.36 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.187 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.94 165.7 15.71 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -102.14 58.4 0.82 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.313 -1.11 . . . . 0.0 110.243 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -132.75 97.84 4.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.362 -0.836 . . . . 0.0 110.218 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -105.96 23.39 14.06 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.419 -0.801 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -169.79 162.99 9.76 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.344 -0.847 . . . . 0.0 110.115 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.234 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.195 0.522 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.62 -175.49 3.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.35 -0.844 . . . . 0.0 110.196 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tp -113.43 28.38 8.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.434 -0.791 . . . . 0.0 109.461 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.92 -36.24 7.33 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -33.77 52.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.355 -1.085 . . . . 0.0 110.251 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.95 110.3 3.99 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.36 -48.52 4.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.342 -1.093 . . . . 0.0 110.133 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -78.75 -23.23 45.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.336 -0.852 . . . . 0.0 110.298 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -32.48 67.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.282 -0.886 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -143.6 107.3 4.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.458 -0.776 . . . . 0.0 110.18 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -159.43 34.69 0.2 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.291 -0.881 . . . . 0.0 110.121 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.74 -43.68 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.416 -0.802 . . . . 0.0 110.202 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.37 51.88 0.68 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.0 t -125.21 -49.56 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.398 -1.06 . . . . 0.0 110.029 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.531 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -148.2 -179.87 1.05 Allowed Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.406 -0.809 . . . . 0.0 110.082 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 37.0 Cg_endo -61.33 78.35 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.66 1.347 . . . . 0.0 110.635 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ASP . 1.7 t 70.28 47.3 0.55 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 44.64 27.27 0.24 Allowed 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.798 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.44 119.06 0.58 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.26 -0.9 . . . . 0.0 110.265 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -73.49 -36.23 4.11 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 O-C-N 123.949 1.499 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -63.42 -49.52 73.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.389 -0.819 . . . . 0.0 110.172 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -29.26 66.53 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.263 -0.898 . . . . 0.0 110.058 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.5 84.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.372 -0.83 . . . . 0.0 110.065 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -38.6 65.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.325 -0.859 . . . . 0.0 110.138 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.73 91.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.329 -0.857 . . . . 0.0 110.134 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.09 -21.43 62.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.267 -0.895 . . . . 0.0 110.214 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -79.19 -27.72 42.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -0.896 . . . . 0.0 109.165 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.1 t -79.18 -27.81 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.6 -0.688 . . . . 0.0 109.679 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 t -76.25 -47.91 22.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.407 -0.808 . . . . 0.0 110.021 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.6 tpt -61.99 -40.57 96.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 110.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -63.22 -37.72 88.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.428 -0.795 . . . . 0.0 110.053 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.87 -37.14 85.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.323 -0.861 . . . . 0.0 110.052 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.86 -41.47 74.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.805 . . . . 0.0 110.085 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -47.0 88.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.388 -0.82 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -60.06 -40.63 90.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.396 -0.815 . . . . 0.0 110.142 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -70.48 -43.95 68.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.412 -0.805 . . . . 0.0 109.989 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 15.1 mm100 -73.95 -18.14 60.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.385 -0.822 . . . . 0.0 110.19 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.4 -59.23 2.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.43 -0.794 . . . . 0.0 109.698 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -53.17 -31.27 41.8 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.438 -0.789 . . . . 0.0 109.337 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -84.26 -35.2 23.55 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.58 -0.7 . . . . 0.0 109.695 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -73.37 -55.0 6.96 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.214 -0.929 . . . . 0.0 110.008 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -58.35 -47.2 84.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.443 -0.786 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -46.37 70.63 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.287 -0.883 . . . . 0.0 110.08 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.53 -24.7 63.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.464 -0.772 . . . . 0.0 109.854 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.2 -34.08 49.65 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 110.07 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.84 -39.25 64.14 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.366 -0.834 . . . . 0.0 110.155 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.51 -41.62 75.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -71.62 -17.97 62.24 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.28 -0.887 . . . . 0.0 110.433 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.53 -31.23 29.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.251 -0.905 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.81 -18.89 14.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.337 -0.852 . . . . 0.0 110.504 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -99.8 -57.36 2.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.201 -0.937 . . . . 0.0 110.176 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.04 4.99 45.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.383 -0.823 . . . . 0.0 110.594 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.16 13.73 44.37 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.2 tt -100.95 -5.52 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.284 -1.127 . . . . 0.0 110.58 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.83 62.1 6.25 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.162 -0.961 . . . . 0.0 110.326 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.5 t -167.15 44.58 0.05 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.369 -0.832 . . . . 0.0 110.307 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 p -114.98 121.73 44.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.437 -0.789 . . . . 0.0 110.221 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.36 -150.59 6.84 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 t -148.92 114.75 5.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.35 -1.088 . . . . 0.0 110.14 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.0 mt-10 -130.25 47.13 2.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.814 . . . . 0.0 110.53 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -56.45 97.22 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.118 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -50.74 79.54 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.606 0.717 . . . . 0.0 110.576 -177.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.4 t70 -72.99 -48.97 31.79 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.833 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -72.21 -29.56 64.07 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.078 -1.013 . . . . 0.0 109.223 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' CB ' ' HB3' ' A' ' 62' ' ' SER . . . -60.15 -47.62 85.15 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 119.505 -0.878 . . . . 0.0 108.902 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.77 -29.7 69.57 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tt -77.6 -34.93 53.33 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.506 -0.746 . . . . 0.0 109.766 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.6 -56.86 3.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -0.782 . . . . 0.0 110.733 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -41.05 69.89 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.138 -0.976 . . . . 0.0 110.725 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.6 m -68.64 -41.09 79.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.197 -0.94 . . . . 0.0 110.686 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 tp -82.1 -18.37 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.133 -0.98 . . . . 0.0 110.061 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.0 m -71.95 -37.5 69.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.302 -0.874 . . . . 0.0 109.883 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.94 -28.32 27.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.43 -0.794 . . . . 0.0 110.206 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -84.62 -40.57 17.32 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.288 -0.882 . . . . 0.0 110.381 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.35 -35.59 71.21 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.222 -0.924 . . . . 0.0 110.124 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.16 113.42 5.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.27 -0.894 . . . . 0.0 110.141 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.09 -47.69 0.74 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.95 -51.07 2.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -1.097 . . . . 0.0 110.417 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.4 m 52.11 68.03 0.88 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.312 -0.868 . . . . 0.0 109.866 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.426 ' O ' ' HG ' ' A' ' 81' ' ' LEU . . . 67.06 -83.31 0.12 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.994 -1.643 . . . . 0.0 108.994 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 80' ' ' GLY . 0.2 OUTLIER -180.0 112.33 0.2 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.655 -0.909 . . . . 0.0 109.975 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.35 -44.24 0.85 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 O-C-N 123.641 1.337 . . . . 0.0 110.43 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 t70 52.45 74.77 0.26 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.332 -0.855 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.3 mt -68.1 -26.49 65.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.323 -0.861 . . . . 0.0 110.374 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.7 t -56.21 -26.62 51.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.264 -0.897 . . . . 0.0 110.382 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.5 t -94.06 43.94 1.11 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.859 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.423 ' CG ' ' HB3' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -147.28 126.0 12.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.87 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.414 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 71.5 p -60.45 -177.93 0.08 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.365 -0.834 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.41 -33.28 73.43 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.408 -0.808 . . . . 0.0 110.263 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -82.82 -33.41 27.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.399 -0.813 . . . . 0.0 110.022 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 87' ' ' MET . 44.4 mm-40 -56.8 -62.02 2.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.257 -0.902 . . . . 0.0 109.807 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -57.44 -31.48 65.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.337 -0.852 . . . . 0.0 109.12 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -67.25 -38.17 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.09 -34.66 72.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.402 -0.811 . . . . 0.0 109.481 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.9 -46.73 17.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.506 -0.746 . . . . 0.0 109.863 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.65 92.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.465 -0.772 . . . . 0.0 110.224 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.2 mmt -76.53 -23.98 53.67 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.298 -0.876 . . . . 0.0 109.658 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -47.88 81.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 109.923 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.1 mmm -73.21 -29.89 63.13 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.454 -0.779 . . . . 0.0 110.029 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -12.3 61.14 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.485 -0.76 . . . . 0.0 110.435 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.67 33.0 1.51 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.2 -0.938 . . . . 0.0 110.292 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -167.13 35.2 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.274 -0.891 . . . . 0.0 110.08 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.72 95.58 0.16 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -168.08 111.21 0.61 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.298 -1.119 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 52.19 63.16 2.35 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.267 -0.896 . . . . 0.0 110.431 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.43 -71.43 0.74 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.373 -0.829 . . . . 0.0 110.091 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.55 66.88 2.2 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -104.47 56.89 0.71 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.354 -1.086 . . . . 0.0 110.115 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.67 -27.74 19.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.462 -0.774 . . . . 0.0 110.271 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.65 49.15 20.98 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.36 -0.837 . . . . 0.0 110.441 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 p -147.49 31.45 0.89 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.399 -0.813 . . . . 0.0 110.191 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.14 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.148 0.499 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.84 -167.15 2.7 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.836 . . . . 0.0 110.161 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 tp -113.11 24.33 12.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.443 -0.785 . . . . 0.0 109.657 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.21 -128.07 0.35 Allowed Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.56 -59.65 1.67 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.372 -1.075 . . . . 0.0 110.116 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.47 -102.64 2.38 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.71 114.37 1.81 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.26 -1.141 . . . . 0.0 110.248 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.98 24.09 3.23 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.476 -0.765 . . . . 0.0 110.567 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -94.98 -20.3 19.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.372 -0.83 . . . . 0.0 110.082 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -133.73 96.37 3.66 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.874 . . . . 0.0 110.098 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 11' ' ' GLU . 4.7 pt-20 -143.22 103.0 4.08 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.311 -0.868 . . . . 0.0 110.271 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 54.47 22.28 3.78 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.357 -0.84 . . . . 0.0 110.628 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.37 7.45 5.01 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.41 -25.62 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.153 -1.204 . . . . 0.0 110.349 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.69 167.52 0.17 Allowed Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.457 -0.777 . . . . 0.0 110.692 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.97 -14.55 35.57 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.806 1.424 . . . . 0.0 110.527 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -21.75 66.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.309 -0.87 . . . . 0.0 110.222 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.5 67.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.238 -0.914 . . . . 0.0 110.338 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.72 119.83 0.65 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 0.0 110.239 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -75.55 -38.62 1.3 Allowed 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.982 1.517 . . . . 0.0 110.373 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.32 -48.06 83.05 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.29 -0.881 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.39 -30.64 71.35 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.321 -0.862 . . . . 0.0 110.153 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.81 95.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -0.807 . . . . 0.0 110.237 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.05 -41.53 67.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.326 -0.859 . . . . 0.0 110.251 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.25 92.69 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.284 -0.885 . . . . 0.0 109.963 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.97 -21.52 60.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.49 -0.756 . . . . 0.0 110.144 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -83.74 -26.68 29.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.335 -0.853 . . . . 0.0 109.805 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.9 t -77.73 -35.19 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.468 -0.77 . . . . 0.0 109.899 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -77.44 -35.54 53.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.39 -0.819 . . . . 0.0 110.021 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 ttt -68.76 -38.51 80.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 109.949 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.74 -36.83 76.16 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.397 -0.814 . . . . 0.0 109.989 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.94 -50.99 60.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.059 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -35.38 70.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.368 -0.832 . . . . 0.0 110.037 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -46.92 80.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.415 -0.803 . . . . 0.0 110.064 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.92 -51.12 62.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.342 -0.849 . . . . 0.0 110.274 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -50.01 34.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.44 -0.788 . . . . 0.0 110.027 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.2 tp-100 -58.35 -23.65 57.46 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.331 -0.855 . . . . 0.0 110.068 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 42.6 tt0 -73.28 -64.06 1.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.409 -0.807 . . . . 0.0 109.058 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.45 -29.76 11.06 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.409 -0.807 . . . . 0.0 109.117 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -26.76 26.22 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.662 -0.649 . . . . 0.0 109.65 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -85.72 -20.44 29.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.259 -0.901 . . . . 0.0 109.277 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.47 ' HD3' ' O ' ' A' ' 38' ' ' GLU . 5.6 mpt_? -82.35 -38.11 24.68 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.666 -0.646 . . . . 0.0 109.583 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -75.07 -35.21 61.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.5 -0.75 . . . . 0.0 109.683 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.98 74.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.433 -0.792 . . . . 0.0 109.947 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.44 -35.14 54.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.425 -0.797 . . . . 0.0 110.065 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -51.08 64.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.49 -0.756 . . . . 0.0 110.176 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.92 -28.62 69.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.838 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.7 t -75.18 -42.36 55.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.386 -0.821 . . . . 0.0 110.206 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.13 70.24 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.399 -0.813 . . . . 0.0 110.247 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.66 -11.53 59.87 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.402 -0.811 . . . . 0.0 110.556 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -92.09 -58.13 2.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.266 -0.896 . . . . 0.0 110.184 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.45 -12.27 22.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.36 -0.837 . . . . 0.0 110.529 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.71 28.57 14.34 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.423 HG23 HD13 ' A' ' 54' ' ' ILE . 16.0 tt -97.86 -23.41 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -1.087 . . . . 0.0 110.251 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.19 125.84 31.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.325 -0.86 . . . . 0.0 110.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 p -112.34 82.79 1.69 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.842 . . . . 0.0 110.173 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 p -143.41 -172.41 3.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.392 -0.817 . . . . 0.0 110.127 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -152.57 76.98 0.22 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 m -112.0 73.17 0.8 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.45 -1.03 . . . . 0.0 110.196 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.48 46.38 1.05 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -0.834 . . . . 0.0 110.089 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -76.19 -62.28 1.66 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.367 -0.833 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m -95.44 77.94 3.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.337 -0.852 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -67.48 -65.11 0.73 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.382 -0.824 . . . . 0.0 110.119 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.41 -29.12 56.93 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.197 -0.939 . . . . 0.0 109.305 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.64 84.99 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.742 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.66 -30.74 67.43 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 tt -76.12 -38.26 57.08 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.588 -0.695 . . . . 0.0 109.737 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.6 mptt -83.45 -55.05 4.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.435 -0.791 . . . . 0.0 110.501 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -42.8 67.1 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.232 -0.917 . . . . 0.0 110.633 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.0 m -67.95 -42.21 81.29 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.367 -0.833 . . . . 0.0 110.563 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 tp -84.15 -8.4 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.243 -0.91 . . . . 0.0 110.493 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . 48.3 t -80.47 -49.17 11.77 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.884 . . . . 0.0 109.909 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -81.64 -21.64 38.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.388 -0.82 . . . . 0.0 110.15 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -85.15 -43.46 13.82 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 0.0 110.371 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.01 -43.67 70.91 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.385 -0.822 . . . . 0.0 110.225 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.54 62.94 1.05 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.39 -0.819 . . . . 0.0 110.264 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.42 -66.84 0.05 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -91.57 127.66 37.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.342 -1.093 . . . . 0.0 110.246 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -126.18 38.18 4.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.199 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.24 30.66 9.89 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -167.41 122.98 0.86 Allowed Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.332 -1.099 . . . . 0.0 110.197 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.4 125.62 10.32 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.494 1.26 . . . . 0.0 110.544 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -83.52 75.0 10.05 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.367 -0.833 . . . . 0.0 110.295 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.02 -28.67 69.74 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.312 -0.867 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.5 p -66.92 -29.41 69.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.341 -0.849 . . . . 0.0 110.345 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 t -100.36 35.69 2.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.375 -0.828 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 13.0 mtt -120.35 130.61 54.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.318 -0.864 . . . . 0.0 110.185 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.8 p -72.22 174.99 6.46 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.36 -0.837 . . . . 0.0 110.099 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.94 -27.61 63.55 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.453 -0.78 . . . . 0.0 110.182 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -84.55 -36.12 22.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.279 -0.888 . . . . 0.0 110.027 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -62.34 1.74 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.29 -0.881 . . . . 0.0 109.852 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -59.18 -29.66 67.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 109.348 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -47.01 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.572 -0.705 . . . . 0.0 109.368 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.5 -24.61 60.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.317 -0.865 . . . . 0.0 109.64 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.7 -45.15 19.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.456 -0.777 . . . . 0.0 110.045 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.7 -29.59 59.02 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.489 -0.757 . . . . 0.0 110.375 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.6 ttm -79.57 -24.04 42.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.261 -0.899 . . . . 0.0 109.702 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -80.01 -28.8 39.38 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.499 -0.751 . . . . 0.0 110.067 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.6 mtt -85.27 -21.39 29.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.385 -0.822 . . . . 0.0 110.435 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.6 p -90.46 -27.84 18.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -0.904 . . . . 0.0 110.467 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -23.58 33.58 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.287 -0.883 . . . . 0.0 110.461 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -72.82 -21.28 60.99 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.286 -0.884 . . . . 0.0 110.396 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.03 129.99 4.75 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.84 85.04 2.33 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.356 -1.084 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.73 54.61 0.84 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.371 -0.831 . . . . 0.0 110.105 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -96.8 -69.58 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.373 -0.829 . . . . 0.0 109.982 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -110.54 22.81 21.51 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -116.97 60.43 0.75 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -1.123 . . . . 0.0 110.182 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -166.91 -51.33 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.227 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.39 58.62 4.19 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.328 -0.858 . . . . 0.0 110.184 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.1 p -106.62 149.48 27.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.915 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.209 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.7 t60 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.183 0.516 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.544 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -157.36 -47.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.544 ' CB ' ' O ' ' A' ' 2' ' ' MET . 8.9 tp 79.39 33.23 0.22 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.28 66.44 0.95 Allowed Glycine 0 N--CA 1.481 1.638 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tt -104.8 81.37 1.75 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.327 -1.102 . . . . 0.0 110.208 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.12 25.62 0.7 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -133.38 6.18 3.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.327 -1.102 . . . . 0.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.31 1.05 4.61 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.152 -0.968 . . . . 0.0 110.639 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -68.11 -37.22 80.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 110.06 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -171.45 44.78 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.445 -0.784 . . . . 0.0 110.363 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.87 67.17 0.39 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.425 -0.797 . . . . 0.0 110.259 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -166.26 -61.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.372 -0.83 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.0 47.44 1.05 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.38 -31.78 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.413 -1.051 . . . . 0.0 110.418 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -166.52 136.32 2.53 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.914 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.88 -13.7 34.71 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.563 1.296 . . . . 0.0 110.727 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -63.13 -17.18 62.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.296 -0.877 . . . . 0.0 110.295 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.04 -11.01 60.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.259 -0.9 . . . . 0.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -153.16 113.44 2.68 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 0.0 110.124 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -73.86 -38.07 2.52 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 O-C-N 124.004 1.528 . . . . 0.0 110.378 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.93 -46.27 75.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.391 -0.818 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.08 -29.39 67.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.402 -0.811 . . . . 0.0 109.978 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.88 97.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.469 -0.769 . . . . 0.0 110.083 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.48 -39.84 81.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 109.999 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -34.98 79.73 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.397 -0.814 . . . . 0.0 109.957 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.23 -24.12 62.13 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.334 -0.854 . . . . 0.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -85.22 -30.66 23.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.0 109.492 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -75.92 -33.86 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.571 -0.706 . . . . 0.0 109.752 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -41.04 56.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.427 -0.796 . . . . 0.0 109.902 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.6 ttt -65.41 -35.26 80.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 0.0 109.794 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -33.95 62.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.813 . . . . 0.0 110.057 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -49.1 76.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.349 -0.844 . . . . 0.0 109.923 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.82 -35.75 80.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.426 -0.796 . . . . 0.0 109.86 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -67.74 -40.26 84.17 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.479 -0.763 . . . . 0.0 110.055 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.04 -40.37 93.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.404 -0.81 . . . . 0.0 110.059 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -71.19 -39.75 71.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.498 -0.751 . . . . 0.0 109.982 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -73.35 -26.06 60.86 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.342 -0.849 . . . . 0.0 109.992 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -83.87 -58.08 2.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.429 -0.794 . . . . 0.0 109.416 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -32.71 29.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.56 -0.712 . . . . 0.0 109.266 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -84.64 -33.88 23.18 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -64.21 -52.61 58.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.422 -0.799 . . . . 0.0 109.59 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -65.38 -30.82 71.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.391 -0.818 . . . . 0.0 109.497 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -44.38 69.28 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.429 -0.794 . . . . 0.0 109.234 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.83 -23.78 58.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.579 -0.701 . . . . 0.0 109.368 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.99 72.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.456 -0.777 . . . . 0.0 110.016 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.48 -44.2 16.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.307 -0.871 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.71 78.7 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.424 -0.797 . . . . 0.0 110.091 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -84.4 -29.43 26.19 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.274 -0.891 . . . . 0.0 110.129 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.75 75.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -0.832 . . . . 0.0 110.222 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.43 -24.73 39.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.361 -0.837 . . . . 0.0 110.238 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -97.01 -67.94 0.82 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.401 -0.812 . . . . 0.0 110.315 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.4 29.86 3.44 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.405 -0.809 . . . . 0.0 110.333 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.78 -17.62 4.6 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.45 -21.89 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.051 -1.264 . . . . 0.0 110.706 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.33 179.66 7.62 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.197 -0.939 . . . . 0.0 110.424 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.5 t -136.15 144.77 45.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.475 -0.765 . . . . 0.0 110.177 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.8 p -130.2 6.19 4.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.409 -0.807 . . . . 0.0 110.572 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.15 97.92 0.13 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.1 m -72.56 79.21 1.06 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -1.104 . . . . 0.0 110.151 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.66 78.49 0.7 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.375 -0.828 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.21 -54.92 22.23 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.321 -0.862 . . . . 0.0 110.15 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.24 69.25 1.29 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.191 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -66.85 -36.16 81.7 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.346 -0.846 . . . . 0.0 110.48 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -76.17 -28.95 57.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 0.0 109.323 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.91 -43.82 98.06 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.953 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -30.01 70.5 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.75 -0.834 . . . . 0.0 108.75 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.37 -44.63 58.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.528 -0.733 . . . . 0.0 109.78 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -56.59 4.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.47 -0.769 . . . . 0.0 110.235 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.7 ttt -48.54 -39.72 24.47 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.342 -0.849 . . . . 0.0 110.778 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.2 m -70.6 -40.58 73.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.378 -0.826 . . . . 0.0 110.463 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.2 tp -81.5 -16.46 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.052 -1.03 . . . . 0.0 110.053 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.88 -39.05 64.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.286 -0.884 . . . . 0.0 109.553 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -82.13 -23.13 35.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.55 -0.718 . . . . 0.0 110.112 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -89.93 -31.59 17.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.307 -0.871 . . . . 0.0 110.174 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -78.29 -32.56 49.47 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -0.879 . . . . 0.0 110.328 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.52 116.53 3.42 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.331 -0.855 . . . . 0.0 110.41 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.8 -52.61 44.05 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.45 106.77 17.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -1.075 . . . . 0.0 110.047 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -122.59 40.53 3.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.414 -0.804 . . . . 0.0 110.265 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -105.98 32.16 7.66 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.9 mp -144.71 101.36 4.62 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.29 -1.123 . . . . 0.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -73.32 -9.22 22.91 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 O-C-N 123.702 1.369 . . . . 0.0 110.673 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 53.31 90.22 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.179 -0.951 . . . . 0.0 110.457 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.86 -23.7 66.44 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.344 -0.848 . . . . 0.0 110.251 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.3 p -60.72 -26.37 67.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.364 -0.835 . . . . 0.0 110.261 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 m -106.15 37.43 2.28 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.324 -0.86 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 18.6 mtt -112.61 137.24 51.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.421 -0.799 . . . . 0.0 110.135 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.6 p -75.89 171.57 14.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.444 -0.785 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.21 -29.84 64.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.395 -0.816 . . . . 0.0 110.282 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -83.53 -34.83 25.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.341 -0.849 . . . . 0.0 109.884 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.86 -62.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.382 -0.824 . . . . 0.0 109.859 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.54 -29.85 69.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.415 -0.803 . . . . 0.0 109.516 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -40.74 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.596 -0.69 . . . . 0.0 109.463 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.15 -29.67 70.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.435 -0.791 . . . . 0.0 109.632 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -84.73 -40.87 16.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.448 -0.782 . . . . 0.0 109.95 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.32 -29.03 61.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.356 -0.84 . . . . 0.0 110.136 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.6 tpt -82.61 -26.49 32.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.326 -0.859 . . . . 0.0 109.778 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.15 -41.39 67.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.379 -0.826 . . . . 0.0 110.005 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.4 tpp -75.19 -27.59 59.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.365 -0.834 . . . . 0.0 110.169 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.9 t -71.57 -27.39 63.12 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.4 -0.812 . . . . 0.0 110.284 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.7 tp -93.9 46.21 1.17 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 110.197 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -165.36 -70.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.333 -0.855 . . . . 0.0 110.101 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.07 104.99 0.28 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.19 116.86 4.07 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.413 -1.051 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.14 -136.04 0.25 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.324 -0.86 . . . . 0.0 109.846 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.84 86.26 2.53 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.99 -1.069 . . . . 0.0 110.245 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.35 35.19 5.19 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -86.23 60.05 6.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.402 -1.058 . . . . 0.0 110.199 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -154.35 112.49 3.53 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.177 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.14 -53.51 0.91 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.328 -0.857 . . . . 0.0 110.138 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 t -128.87 139.54 52.1 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 110.143 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.186 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.212 0.53 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.548 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -168.3 -41.0 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.29 -0.881 . . . . 0.0 110.203 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.548 ' CB ' ' O ' ' A' ' 2' ' ' MET . 1.3 tp 79.59 36.24 0.15 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.07 80.39 0.48 Allowed Glycine 0 N--CA 1.481 1.674 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt -95.29 25.81 4.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.328 -1.101 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.14 -40.17 0.38 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -32.01 72.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.322 -1.105 . . . . 0.0 110.327 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -99.08 31.75 2.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.297 -0.877 . . . . 0.0 110.213 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -92.5 -2.93 55.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.837 . . . . 0.0 110.574 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -90.33 3.37 53.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.15 -0.969 . . . . 0.0 110.62 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 2.3 tt0 -57.26 115.27 2.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.212 -0.93 . . . . 0.0 110.191 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 44.4 p90 35.51 35.17 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.225 0.536 . . . . 0.0 111.505 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.35 -9.49 19.58 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 15' ' ' ASP . 35.6 m -126.38 -34.01 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.137 -1.214 . . . . 0.0 110.46 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.4 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.8 m-20 -148.22 148.05 28.0 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.243 -0.911 . . . . 0.0 110.241 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.71 -17.54 33.2 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.774 1.407 . . . . 0.0 110.657 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -16.6 58.91 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.242 -0.911 . . . . 0.0 110.387 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.64 -29.33 64.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.245 -0.91 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.17 118.66 0.74 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.0 110.032 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.85 -29.22 12.63 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 123.973 1.512 . . . . 0.0 110.415 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -43.23 93.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.329 -0.857 . . . . 0.0 109.887 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.66 -27.94 64.41 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.39 -0.819 . . . . 0.0 109.982 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.92 -52.86 61.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.416 -0.803 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.79 -38.06 85.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 110.165 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.5 -39.34 61.15 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.302 -0.874 . . . . 0.0 110.463 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.4 tp -80.71 -21.32 41.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.164 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.6 -32.69 31.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 0.0 109.157 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.2 p -77.51 -25.42 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.602 -0.686 . . . . 0.0 109.852 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -48.85 13.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.485 -0.759 . . . . 0.0 110.049 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -28.48 69.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.46 -0.775 . . . . 0.0 110.176 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -75.94 -41.5 51.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.326 -0.859 . . . . 0.0 110.397 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.31 -53.31 59.22 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.248 -0.907 . . . . 0.0 110.337 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.96 -30.2 68.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.363 -0.836 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -51.43 62.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.118 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -56.95 -33.77 67.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.433 -0.792 . . . . 0.0 110.229 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -57.23 8.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.0 110.036 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 9.2 tt0 -72.65 -17.37 61.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.398 -0.814 . . . . 0.0 110.282 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -83.92 -59.91 2.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.333 -0.854 . . . . 0.0 109.634 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -50.91 -31.65 18.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.439 -0.788 . . . . 0.0 109.349 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -84.27 -35.33 23.45 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -65.8 -55.35 17.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.468 -0.77 . . . . 0.0 109.71 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -63.44 -31.97 73.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.815 . . . . 0.0 109.677 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -47.32 70.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.419 -0.801 . . . . 0.0 109.284 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.51 58.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.487 -0.758 . . . . 0.0 109.235 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.45 73.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.503 -0.748 . . . . 0.0 110.013 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.82 -27.43 22.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.44 -0.787 . . . . 0.0 110.168 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.49 -21.59 55.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.39 -0.819 . . . . 0.0 110.288 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.6 -33.39 8.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.285 -0.884 . . . . 0.0 110.359 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.93 69.23 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.408 -0.808 . . . . 0.0 110.344 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.08 27.34 5.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.303 -0.873 . . . . 0.0 110.209 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -153.85 -47.3 0.09 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.355 -0.84 . . . . 0.0 110.13 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.92 17.86 22.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.328 -0.858 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.83 -44.61 0.2 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.1 pp -83.57 57.19 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.382 -1.07 . . . . 0.0 110.211 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.21 -172.84 0.11 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.294 -0.879 . . . . 0.0 110.257 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.6 p -94.71 70.32 3.49 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.362 -0.836 . . . . 0.0 110.228 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.6 p -150.0 164.54 35.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.375 -0.828 . . . . 0.0 110.174 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -167.33 34.54 0.21 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.4 p -131.25 75.95 1.69 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.36 -1.083 . . . . 0.0 110.21 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -117.46 85.55 2.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.3 -0.875 . . . . 0.0 110.242 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.68 -41.1 63.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.336 -0.853 . . . . 0.0 110.079 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -118.5 84.19 2.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.377 -0.827 . . . . 0.0 110.208 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -57.88 -30.39 65.8 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.382 -0.824 . . . . 0.0 110.47 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -76.62 -30.09 56.76 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.144 -0.972 . . . . 0.0 109.356 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.53 96.61 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.515 -0.874 . . . . 0.0 108.868 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.6 -28.65 69.77 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 tt -76.38 -41.04 49.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.591 -0.693 . . . . 0.0 109.981 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -53.85 5.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.522 -0.736 . . . . 0.0 110.586 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.2 mtt -53.57 -41.36 66.43 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.119 -0.988 . . . . 0.0 110.597 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.8 m -69.95 -37.84 75.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.264 -0.898 . . . . 0.0 110.699 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 tp -84.2 -17.59 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.063 -1.023 . . . . 0.0 110.209 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -37.49 64.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.732 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -89.15 -23.15 22.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.449 -0.782 . . . . 0.0 110.169 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -88.32 -40.13 13.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.836 . . . . 0.0 110.308 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -80.05 -33.94 38.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.274 -0.891 . . . . 0.0 110.233 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -119.23 97.91 5.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.341 -0.849 . . . . 0.0 110.188 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.03 -55.97 0.01 OUTLIER Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -96.2 103.02 14.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -1.088 . . . . 0.0 110.099 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -151.89 49.83 0.79 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.458 -0.777 . . . . 0.0 110.19 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.91 64.72 2.38 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -165.85 97.58 0.77 Allowed Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.362 -1.081 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.63 -8.47 22.54 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.692 1.364 . . . . 0.0 110.778 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.77 99.7 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.228 -0.92 . . . . 0.0 110.293 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.9 mt -99.52 -22.44 15.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.357 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.7 m -59.81 -29.82 68.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.302 -0.874 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -97.94 28.94 3.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.38 -0.825 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.9 mtt -122.41 141.67 51.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.44 -0.787 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.9 p -76.73 177.72 7.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -0.861 . . . . 0.0 110.18 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.84 -33.33 71.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.383 -0.823 . . . . 0.0 110.24 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -80.92 -34.67 33.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.029 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.22 -61.94 1.99 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.325 -0.859 . . . . 0.0 109.899 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -60.16 -29.34 68.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.366 -0.834 . . . . 0.0 109.528 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -39.7 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.524 -0.735 . . . . 0.0 109.551 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.67 -28.26 69.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.322 -0.861 . . . . 0.0 109.737 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -85.03 -34.25 22.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.463 -0.773 . . . . 0.0 110.138 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.27 -30.47 30.63 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.413 -0.804 . . . . 0.0 110.466 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.4 ttt -83.7 -33.4 25.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.237 -0.915 . . . . 0.0 109.634 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -70.63 -39.98 73.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.507 -0.745 . . . . 0.0 109.887 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.2 mtp -77.29 -22.88 51.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.447 -0.783 . . . . 0.0 110.159 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.4 t -70.72 -41.44 71.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.321 -0.862 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.64 -14.38 52.03 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.298 -0.876 . . . . 0.0 110.591 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -104.13 -43.55 5.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.266 -0.896 . . . . 0.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.58 121.29 1.47 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -116.21 90.43 3.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.377 -1.073 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -128.23 -60.64 1.12 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.346 -0.847 . . . . 0.0 110.238 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -104.1 -51.21 3.19 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.39 -0.818 . . . . 0.0 110.235 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.57 -76.17 0.25 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.25 79.19 1.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -1.09 . . . . 0.0 110.174 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.41 26.84 6.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.351 -0.843 . . . . 0.0 110.234 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -119.05 48.84 1.4 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 0.0 110.197 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -100.9 30.34 4.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.448 -0.782 . . . . 0.0 110.171 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.185 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 37.1 m80 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.181 0.515 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.2 ttp 52.68 -163.17 0.09 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.386 -0.821 . . . . 0.0 110.426 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.0 25.29 11.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.429 -0.794 . . . . 0.0 109.409 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.75 56.46 3.0 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.46 -61.3 1.89 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.424 -1.044 . . . . 0.0 110.203 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.81 109.15 2.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.2 -4.25 49.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.395 -1.062 . . . . 0.0 110.599 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -61.07 -18.95 60.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.145 -0.972 . . . . 0.0 110.5 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.83 -36.86 75.22 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.231 -0.918 . . . . 0.0 110.442 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 84.5 t80 -103.71 8.82 37.34 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.293 -0.879 . . . . 0.0 110.392 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -70.27 72.17 0.45 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.097 -1.002 . . . . 0.0 110.185 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 53.54 23.38 3.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.41 -0.806 . . . . 0.0 110.658 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.36 -13.92 40.18 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.0 t -80.64 -15.85 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.256 -1.143 . . . . 0.0 110.394 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.531 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -61.9 -179.64 0.23 Allowed Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.197 -0.94 . . . . 0.0 110.03 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.531 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 37.0 Cg_endo -61.09 78.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.298 0 O-C-N 123.663 1.349 . . . . 0.0 110.689 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER 69.67 47.31 0.65 Allowed 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 -179.393 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 43.18 29.68 0.23 Allowed 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.768 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.18 117.77 0.92 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.284 -0.885 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -75.08 -36.56 2.43 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 O-C-N 124.007 1.53 . . . . 0.0 110.299 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.46 -39.73 84.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.465 -0.772 . . . . 0.0 110.116 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -33.11 72.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.375 -0.828 . . . . 0.0 109.869 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.01 82.45 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.406 -0.809 . . . . 0.0 110.133 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.74 -28.53 67.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.378 -0.826 . . . . 0.0 110.132 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.72 84.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.337 -0.852 . . . . 0.0 110.191 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.36 -21.56 61.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.3 -0.875 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -29.88 35.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.895 . . . . 0.0 109.305 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.1 t -81.5 -27.18 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.561 -0.712 . . . . 0.0 109.839 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.3 m -76.63 -36.87 57.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.535 -0.728 . . . . 0.0 110.099 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.1 ttp -76.0 -28.14 57.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.22 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -33.97 51.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.355 -0.84 . . . . 0.0 110.063 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.87 -43.34 68.61 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.359 -0.838 . . . . 0.0 110.106 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -67.62 -28.33 67.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.521 -0.737 . . . . 0.0 110.053 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -47.94 18.5 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.206 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -59.8 -45.3 92.77 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 0.0 110.108 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -64.74 -46.44 82.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.839 . . . . 0.0 109.999 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 2.7 mm100 -72.8 -22.12 60.87 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 110.171 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -83.93 -63.02 1.42 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.485 -0.759 . . . . 0.0 109.601 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.79 -31.08 25.61 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.263 -0.898 . . . . 0.0 109.344 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -81.45 -38.59 26.17 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.622 -0.674 . . . . 0.0 109.4 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -73.29 -56.67 4.77 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.35 -0.844 . . . . 0.0 109.894 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -51.94 -41.29 61.92 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.478 -0.764 . . . . 0.0 110.269 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -60.65 -42.48 97.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.45 -0.781 . . . . 0.0 110.048 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.35 -32.06 73.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.44 -0.787 . . . . 0.0 109.97 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.4 -36.79 53.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -0.793 . . . . 0.0 110.133 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.9 95.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.347 -0.845 . . . . 0.0 110.151 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.02 -28.23 63.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -0.862 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 t -64.41 -62.86 1.34 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.367 -0.833 . . . . 0.0 110.154 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.22 68.77 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.415 -0.803 . . . . 0.0 110.182 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.21 -23.9 57.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.363 -0.836 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.78 -30.29 62.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.317 -0.864 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.15 33.76 3.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.263 -0.898 . . . . 0.0 110.286 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -134.28 -49.07 0.08 OUTLIER Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.0 tp -140.81 85.96 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.438 -1.037 . . . . 0.0 109.967 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.13 20.51 16.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 0.0 110.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 p -79.67 139.83 37.25 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.308 -0.87 . . . . 0.0 110.093 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -125.27 -172.08 2.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.301 -0.874 . . . . 0.0 110.324 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.93 -127.49 2.06 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.1 t -169.05 77.06 0.11 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.357 -1.084 . . . . 0.0 110.239 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.72 66.5 0.9 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.312 -0.868 . . . . 0.0 110.374 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.04 -61.4 2.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.371 -0.831 . . . . 0.0 110.09 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.46 79.4 1.61 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.854 . . . . 0.0 110.062 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -73.57 -45.7 51.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.412 -0.805 . . . . 0.0 110.381 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.04 -31.88 50.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.18 -0.95 . . . . 0.0 109.367 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.49 83.15 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.496 -0.881 . . . . 0.0 108.706 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 tp -70.17 -30.48 67.63 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 tt -76.75 -35.44 57.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.581 -0.699 . . . . 0.0 109.706 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -84.39 -55.33 4.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.45 -0.781 . . . . 0.0 110.408 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.0 tpt -53.73 -44.67 70.07 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.196 -0.94 . . . . 0.0 110.498 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.1 m -66.72 -42.79 85.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.298 -0.876 . . . . 0.0 110.511 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -82.95 -8.48 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.187 -0.946 . . . . 0.0 110.433 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' LYS . 26.1 t -81.21 -37.82 28.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.29 -0.881 . . . . 0.0 109.842 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -89.04 -21.94 23.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.494 -0.754 . . . . 0.0 110.307 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.89 -39.37 12.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.276 -0.89 . . . . 0.0 110.365 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -81.16 -32.88 33.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.247 -0.908 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -128.66 56.17 1.67 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.322 -0.861 . . . . 0.0 110.197 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.22 -39.43 0.55 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.09 88.45 1.92 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.311 -1.111 . . . . 0.0 110.293 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -147.26 70.37 1.18 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.48 -0.763 . . . . 0.0 110.277 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.25 47.07 3.28 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.26 94.36 1.11 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.394 -1.063 . . . . 0.0 110.168 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.11 -31.89 11.55 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 O-C-N 123.689 1.363 . . . . 0.0 110.416 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t0 60.24 112.56 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.406 -0.809 . . . . 0.0 110.468 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.4 mt -65.16 -36.83 85.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.334 -0.854 . . . . 0.0 110.262 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.1 p -60.92 -30.97 70.52 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.267 -0.895 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.1 m -97.23 33.68 1.92 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.391 -0.818 . . . . 0.0 110.114 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.7 mtm -129.74 121.25 26.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.834 . . . . 0.0 110.248 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.7 p -66.55 -178.42 0.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.41 -0.806 . . . . 0.0 110.284 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.68 -35.46 76.33 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.38 -0.825 . . . . 0.0 110.197 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -80.12 -32.65 39.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 110.041 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.04 -61.97 2.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.263 -0.898 . . . . 0.0 109.774 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -59.7 -25.43 64.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.374 -0.829 . . . . 0.0 109.603 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -44.83 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.426 -0.796 . . . . 0.0 109.626 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.41 69.99 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.284 -0.885 . . . . 0.0 109.559 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -82.41 -50.48 8.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.528 -0.733 . . . . 0.0 109.829 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.51 73.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.483 -0.76 . . . . 0.0 109.964 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.1 ttm -77.26 -25.61 51.66 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.321 -0.862 . . . . 0.0 109.548 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -43.66 98.36 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.506 -0.747 . . . . 0.0 110.017 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.8 mtt -76.52 -34.58 58.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.437 -0.789 . . . . 0.0 110.13 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -23.92 67.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.381 -0.824 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -41.59 90.18 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -107.46 -28.54 9.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.319 -0.863 . . . . 0.0 110.213 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -99.93 86.95 0.7 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -166.96 104.67 0.56 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.381 -1.07 . . . . 0.0 110.182 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 51.92 90.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.329 -0.857 . . . . 0.0 110.472 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -130.19 -52.45 1.11 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.398 -0.814 . . . . 0.0 110.131 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 87.75 178.8 47.8 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.25 59.96 0.34 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.432 -1.04 . . . . 0.0 110.142 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -145.33 32.66 1.08 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.335 -0.853 . . . . 0.0 110.19 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.39 51.27 1.37 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.317 -0.864 . . . . 0.0 110.122 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m -77.41 -54.79 6.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.394 -0.816 . . . . 0.0 110.221 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.203 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.16 0.505 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.25 -178.3 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.344 -0.848 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mp -111.69 24.12 13.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.37 -0.831 . . . . 0.0 109.518 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.25 56.78 2.07 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.85 -64.4 0.97 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.403 -1.057 . . . . 0.0 110.401 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.35 124.43 1.14 Allowed Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.82 31.57 3.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.32 -1.106 . . . . 0.0 110.184 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 p -148.48 23.74 1.01 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 110.248 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.97 -22.24 36.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.56 113.28 6.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.375 -0.828 . . . . 0.0 109.963 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -95.23 146.39 24.37 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.39 -0.819 . . . . 0.0 109.653 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.588 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 12.5 t80 56.91 15.86 2.49 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.425 -0.797 . . . . 0.0 110.128 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.46 23.07 7.25 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.5 t -105.12 24.11 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.41 -1.053 . . . . 0.0 110.231 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.95 174.96 0.72 Allowed Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.241 -0.912 . . . . 0.0 109.981 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.51 -20.48 27.14 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.6 1.316 . . . . 0.0 110.74 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -13.09 61.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.295 -0.878 . . . . 0.0 110.508 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.5 -8.06 57.2 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.191 -0.943 . . . . 0.0 110.598 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.27 122.37 0.67 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 110.009 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -76.32 -36.36 1.84 Allowed 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.968 1.509 . . . . 0.0 110.457 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.99 -35.03 77.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.352 -0.842 . . . . 0.0 109.996 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -31.49 59.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.816 . . . . 0.0 110.098 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.79 -29.53 64.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.319 -0.863 . . . . 0.0 109.942 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.3 tp -76.05 -39.92 54.48 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.429 -0.794 . . . . 0.0 109.956 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.45 77.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.418 -0.801 . . . . 0.0 110.125 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -22.6 39.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.346 -0.846 . . . . 0.0 110.173 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -86.6 -26.87 24.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.275 -0.89 . . . . 0.0 109.775 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.8 t -81.66 -29.63 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.449 -0.782 . . . . 0.0 109.97 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.2 m -81.67 -45.21 16.06 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.438 -0.789 . . . . 0.0 110.144 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.0 tpt -68.22 -41.23 81.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.486 -0.759 . . . . 0.0 110.163 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -66.14 -36.42 83.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.397 -0.814 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.12 -39.93 95.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.354 -0.842 . . . . 0.0 110.238 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.79 -39.99 87.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.33 -0.856 . . . . 0.0 110.269 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -37.34 81.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.395 -0.816 . . . . 0.0 110.202 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.53 -45.9 92.13 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.378 -0.826 . . . . 0.0 110.228 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -69.86 -34.3 73.42 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.273 -0.892 . . . . 0.0 110.202 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -78.58 -28.17 45.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.843 . . . . 0.0 110.165 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -83.99 -58.71 2.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.484 -0.76 . . . . 0.0 109.663 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -52.54 -31.77 37.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.474 -0.766 . . . . 0.0 109.439 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -84.55 -34.07 23.33 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -64.84 -53.78 41.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.468 -0.77 . . . . 0.0 109.662 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -65.97 -31.15 71.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.365 -0.834 . . . . 0.0 109.662 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -46.3 70.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.44 -0.787 . . . . 0.0 109.452 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.02 61.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.557 -0.715 . . . . 0.0 109.441 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.35 73.9 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.478 -0.764 . . . . 0.0 110.048 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.62 -37.73 20.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.367 -0.833 . . . . 0.0 110.21 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.03 -29.16 68.89 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.382 -0.824 . . . . 0.0 110.227 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.07 -27.5 23.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 110.188 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.58 -29.05 51.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.192 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.55 -1.18 40.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.322 -0.861 . . . . 0.0 110.547 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.71 -31.83 69.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.187 -0.945 . . . . 0.0 110.182 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.1 -15.39 8.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.388 -0.82 . . . . 0.0 110.706 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.59 -41.5 12.99 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 mm -86.25 83.69 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.362 -1.081 . . . . 0.0 110.186 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -146.74 -164.33 1.96 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.416 -0.802 . . . . 0.0 110.137 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -122.32 115.28 22.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.283 -0.886 . . . . 0.0 110.222 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -122.29 43.19 2.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 110.256 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.15 -48.33 0.02 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -122.84 78.4 1.54 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.366 -1.079 . . . . 0.0 110.228 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' SER . 2.3 tm-20 -90.98 49.45 1.65 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 110.417 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 63' ' ' ASP . 4.3 m-20 -56.63 97.22 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' GLU . 38.9 m -50.52 81.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.661 0.744 . . . . 0.0 110.516 -177.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' A' ' 61' ' ' ASP . 20.9 t70 -46.84 -29.92 2.22 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.124 0.488 . . . . 0.0 110.749 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -78.53 -33.73 47.73 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.277 -0.889 . . . . 0.0 109.112 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.35 81.96 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.518 -0.873 . . . . 0.0 108.719 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.14 -30.46 68.71 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.23 -37.73 57.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.545 -0.722 . . . . 0.0 109.465 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -79.39 -54.84 5.54 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.561 -0.712 . . . . 0.0 110.358 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 37.7 mtm -52.15 -40.3 61.19 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.182 -0.949 . . . . 0.0 110.628 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.8 m -67.67 -42.03 82.81 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.342 -0.848 . . . . 0.0 110.545 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 tp -85.21 -13.11 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.18 -0.95 . . . . 0.0 110.418 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.4 t -76.43 -36.74 57.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.205 -0.934 . . . . 0.0 109.759 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -89.99 -25.72 20.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.451 -0.781 . . . . 0.0 110.053 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -84.22 -39.28 19.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.434 -0.791 . . . . 0.0 110.194 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.54 -44.05 19.7 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.27 -0.894 . . . . 0.0 110.24 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.68 86.66 0.93 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.311 -0.868 . . . . 0.0 110.216 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.97 58.36 1.05 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.97 101.49 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.414 -1.051 . . . . 0.0 110.446 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -125.43 59.84 1.25 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.349 -0.844 . . . . 0.0 110.166 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -114.1 32.91 5.7 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.402 ' O ' ' CG ' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -165.93 99.25 0.74 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.337 -1.096 . . . . 0.0 110.29 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.07 -10.91 26.67 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.639 1.336 . . . . 0.0 110.641 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 52.25 92.82 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.207 -0.933 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp -86.08 -28.4 24.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.316 -0.865 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 p -61.39 -32.43 72.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.328 -0.857 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.6 p -98.9 27.42 4.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.366 -0.834 . . . . 0.0 110.21 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 mtt -115.5 125.23 52.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.366 -0.834 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.0 p -67.39 179.31 1.3 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.428 -0.795 . . . . 0.0 110.187 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -60.08 -36.08 76.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.392 -0.817 . . . . 0.0 110.243 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -79.04 -33.34 44.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.868 . . . . 0.0 110.119 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.64 -61.51 2.37 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.304 -0.873 . . . . 0.0 110.001 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.7 -22.9 65.74 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.424 -0.798 . . . . 0.0 109.811 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.03 -45.17 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.442 -0.786 . . . . 0.0 109.83 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.01 -31.33 70.95 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.25 -0.906 . . . . 0.0 109.758 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.423 ' CE2' ' HE1' ' A' ' 99' ' ' MET . 2.6 t80 -86.4 -49.73 7.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -0.759 . . . . 0.0 110.019 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.6 77.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.437 -0.789 . . . . 0.0 110.013 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.9 ttp -81.02 -25.39 37.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.354 -0.841 . . . . 0.0 109.785 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.77 -42.18 97.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.514 -0.741 . . . . 0.0 109.979 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.423 ' HE1' ' CE2' ' A' ' 95' ' ' TYR . 36.8 mtt -82.8 -27.5 30.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.388 -0.82 . . . . 0.0 110.233 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 t -73.31 -21.2 60.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.258 -0.901 . . . . 0.0 110.515 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 61.99 2.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.269 -0.895 . . . . 0.0 110.269 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 51.83 85.22 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.3 -0.875 . . . . 0.0 110.485 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.88 -53.41 2.23 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.08 74.27 3.0 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.444 -1.033 . . . . 0.0 110.289 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -92.07 -48.34 6.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.345 -0.847 . . . . 0.0 110.136 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -152.39 -62.49 0.16 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.366 -0.834 . . . . 0.0 110.186 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -135.61 -151.15 6.12 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -116.08 75.08 0.93 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.36 -1.082 . . . . 0.0 110.115 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -118.48 76.5 1.09 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.36 -0.838 . . . . 0.0 110.247 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -68.01 -31.66 71.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.368 -0.832 . . . . 0.0 110.115 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.3 p -92.37 50.1 1.58 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.381 -0.824 . . . . 0.0 110.221 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.197 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.285 0.564 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.565 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -107.82 -28.86 9.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.315 -0.866 . . . . 0.0 110.171 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.565 ' CB ' ' O ' ' A' ' 2' ' ' MET . 1.8 tp 79.67 35.15 0.16 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -178.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.12 68.49 0.85 Allowed Glycine 0 N--CA 1.48 1.58 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -134.55 -47.42 0.75 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.331 -1.099 . . . . 0.0 110.188 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.92 73.1 1.36 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.41 -55.7 2.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.33 -1.1 . . . . 0.0 110.236 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.2 p -113.43 -19.16 11.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.356 -0.84 . . . . 0.0 110.461 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.82 -28.42 66.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.29 -0.881 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CD2' ' CG1' ' A' ' 14' ' ' VAL . 1.6 m-85 -92.79 85.12 5.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.347 -0.846 . . . . 0.0 110.125 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -148.72 58.28 1.05 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.42 -0.8 . . . . 0.0 110.168 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -164.43 -55.14 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.323 -0.861 . . . . 0.0 110.081 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.46 33.31 5.45 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.425 ' CG1' ' CD2' ' A' ' 10' ' ' PHE . 34.2 m -116.63 -25.63 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.403 -1.057 . . . . 0.0 110.405 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.54 173.27 0.17 Allowed Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.335 -0.853 . . . . 0.0 110.356 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.95 -18.01 36.38 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 O-C-N 123.724 1.381 . . . . 0.0 110.388 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -66.53 -23.76 66.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.151 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.31 -19.65 56.07 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.29 -0.881 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.6 119.88 0.73 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.307 -0.871 . . . . 0.0 109.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.37 -38.35 2.67 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 O-C-N 123.943 1.496 . . . . 0.0 110.407 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -39.54 92.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.355 -0.84 . . . . 0.0 109.961 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.04 -31.95 72.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.396 -0.815 . . . . 0.0 110.041 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.26 -51.5 56.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.331 -0.856 . . . . 0.0 110.185 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -39.24 84.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.87 . . . . 0.0 110.115 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.39 71.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.341 -0.849 . . . . 0.0 110.091 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.4 -23.59 61.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.359 -0.838 . . . . 0.0 110.221 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -80.45 -28.76 37.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.851 . . . . 0.0 109.167 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.9 t -77.67 -29.84 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.619 -0.676 . . . . 0.0 109.64 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -76.61 -35.68 57.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.485 -0.759 . . . . 0.0 110.125 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -43.05 74.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.352 -0.843 . . . . 0.0 109.954 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -39.4 94.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.364 -0.835 . . . . 0.0 110.002 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -42.85 99.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.322 -0.862 . . . . 0.0 109.989 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.33 -32.23 71.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.085 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -45.55 77.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.446 -0.784 . . . . 0.0 109.89 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -29.64 66.48 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.44 -0.787 . . . . 0.0 109.995 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -87.22 -41.65 13.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.478 -0.764 . . . . 0.0 110.065 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.431 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -61.02 -30.57 70.38 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.03 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -83.97 -58.98 2.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.473 -0.767 . . . . 0.0 109.779 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -52.32 -34.03 45.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.493 -0.755 . . . . 0.0 109.305 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -82.15 -33.42 29.57 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -65.77 -50.82 63.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.382 -0.824 . . . . 0.0 109.77 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -67.99 -32.55 73.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.453 -0.78 . . . . 0.0 109.769 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -47.89 69.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.0 109.302 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.73 -23.1 53.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.561 -0.712 . . . . 0.0 109.179 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.69 -31.71 72.87 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.486 -0.759 . . . . 0.0 109.989 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.84 -38.91 16.35 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.407 -0.808 . . . . 0.0 110.152 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.4 -26.52 68.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.443 -0.785 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -90.54 -29.27 17.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.379 -0.826 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 -35.96 69.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.294 -0.879 . . . . 0.0 110.174 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.52 -23.14 56.66 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.349 -0.844 . . . . 0.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.25 -26.53 33.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.401 -0.812 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.18 -28.0 9.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.239 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.3 -71.95 1.16 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -80.49 -70.33 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.406 -1.055 . . . . 0.0 110.179 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 51.73 -165.11 0.06 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.309 -0.869 . . . . 0.0 110.489 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.7 p -110.04 -173.65 2.31 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.369 -0.832 . . . . 0.0 110.171 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 t -151.81 127.95 10.47 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.34 -0.85 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.94 133.59 2.87 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -95.93 61.79 2.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -1.097 . . . . 0.0 110.208 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.3 tt0 -103.06 46.74 0.91 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 0.0 110.449 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -56.21 97.07 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.21 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -50.75 79.01 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.634 0.73 . . . . 0.0 110.756 -177.793 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 61' ' ' ASP . 20.7 t0 -70.16 -32.21 70.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.74 -0.6 . . . . 0.0 110.438 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -79.35 -34.39 42.13 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.202 -0.937 . . . . 0.0 109.392 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.63 -37.07 80.25 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.76 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.6 -29.99 66.53 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 tt -76.02 -39.37 55.85 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.792 . . . . 0.0 109.773 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -51.48 7.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.477 -0.764 . . . . 0.0 110.368 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.3 tpt -56.16 -43.9 78.78 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.209 -0.932 . . . . 0.0 110.496 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.1 m -67.05 -41.69 86.07 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.898 . . . . 0.0 110.476 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 tp -80.26 -18.09 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.168 -0.957 . . . . 0.0 110.042 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -43.76 72.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.37 -0.831 . . . . 0.0 109.66 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -27.39 48.04 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.429 -0.794 . . . . 0.0 109.804 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -39.12 28.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.405 -0.809 . . . . 0.0 110.09 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.28 -47.47 67.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.284 -0.885 . . . . 0.0 109.968 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -88.51 83.63 6.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.482 -0.761 . . . . 0.0 110.113 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.61 -48.47 0.07 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -96.95 99.71 11.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.378 -1.071 . . . . 0.0 110.096 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -145.46 27.38 1.24 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.374 -0.829 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.01 34.58 5.58 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.72 94.73 1.33 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.362 -1.081 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.1 117.55 5.16 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 O-C-N 123.763 1.401 . . . . 0.0 110.434 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.51 64.58 0.61 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.398 -0.814 . . . . 0.0 110.144 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -37.16 77.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.38 -0.825 . . . . 0.0 110.219 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 t -63.45 -29.43 70.71 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.325 -0.859 . . . . 0.0 110.096 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.6 m -109.84 29.62 7.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.342 -0.849 . . . . 0.0 110.152 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.2 mtt -106.66 137.36 44.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.459 -0.775 . . . . 0.0 110.136 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.8 p -70.47 168.4 16.27 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.378 -0.826 . . . . 0.0 110.208 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.27 -31.41 65.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.359 -0.838 . . . . 0.0 110.077 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -79.69 -35.68 38.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.467 -0.771 . . . . 0.0 109.961 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.99 -62.07 1.9 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.284 -0.885 . . . . 0.0 109.848 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -59.15 -29.32 67.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.337 -0.852 . . . . 0.0 109.355 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -36.53 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.588 -0.695 . . . . 0.0 109.283 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.08 72.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.384 -0.823 . . . . 0.0 109.575 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.22 -44.0 15.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.491 -0.756 . . . . 0.0 110.076 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.76 -28.07 62.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.4 -0.812 . . . . 0.0 110.387 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.3 tpt -83.25 -24.48 32.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.382 -0.824 . . . . 0.0 109.85 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -76.06 -33.86 59.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.408 -0.808 . . . . 0.0 110.078 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.1 mmm -85.12 -27.14 26.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.337 -0.852 . . . . 0.0 110.234 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -78.56 -23.6 46.04 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.863 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.18 64.89 0.57 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.258 -0.901 . . . . 0.0 110.096 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 52.04 37.0 20.17 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.268 -0.895 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.28 92.98 0.53 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -160.65 110.32 1.72 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -1.067 . . . . 0.0 110.195 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.74 -42.7 95.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 110.194 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -135.92 72.35 1.44 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.48 -0.762 . . . . 0.0 110.127 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.87 50.01 0.59 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.58 112.51 3.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.405 -1.056 . . . . 0.0 110.169 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.76 -69.38 0.83 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.236 -0.915 . . . . 0.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -124.08 79.57 1.74 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 110.257 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.8 t -137.3 -69.0 0.46 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.335 -0.853 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.192 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.235 0.54 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -167.68 -166.2 0.73 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 110.109 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mp -111.03 24.72 12.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.439 -0.788 . . . . 0.0 109.481 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.99 -86.78 1.85 Allowed Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 tt -91.18 -33.99 15.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -1.081 . . . . 0.0 110.159 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.62 57.34 2.64 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.79 -62.26 0.82 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.425 -1.044 . . . . 0.0 110.189 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -101.03 28.07 5.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.387 -0.82 . . . . 0.0 110.157 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -33.81 54.07 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.351 -0.843 . . . . 0.0 109.977 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 26.0 p90 -153.17 24.82 0.54 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.392 -0.818 . . . . 0.0 110.298 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.38 104.75 1.96 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.365 -0.835 . . . . 0.0 110.325 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 53.48 40.17 31.01 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.386 -0.821 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.34 29.94 2.75 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.0 m -144.77 -40.66 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.347 -1.09 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' SER . 27.4 p30 -135.4 163.34 51.54 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.248 -0.908 . . . . 0.0 110.054 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 15' ' ' ASP . 35.3 Cg_endo -58.02 72.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 O-C-N 123.867 1.456 . . . . 0.0 111.721 -178.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' ASP . 1.2 t 63.36 35.51 12.22 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.524 0.678 . . . . 0.0 109.315 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' SER . . . 36.32 37.32 0.05 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.348 0.594 . . . . 0.0 111.035 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.57 121.52 0.62 Allowed Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.33 -30.71 12.45 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.071 1.563 . . . . 0.0 110.346 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.71 -40.95 96.22 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.332 -0.855 . . . . 0.0 109.903 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -31.26 68.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.417 -0.802 . . . . 0.0 109.859 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.33 85.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.37 -0.832 . . . . 0.0 109.836 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.33 -40.07 95.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.432 -0.792 . . . . 0.0 109.939 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.3 73.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.447 -0.783 . . . . 0.0 110.008 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -24.22 62.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.799 . . . . 0.0 110.098 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.81 -28.89 44.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.842 . . . . 0.0 109.062 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.19 -26.4 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.55 -0.719 . . . . 0.0 109.691 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.56 -46.38 26.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.436 -0.79 . . . . 0.0 110.036 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -43.45 92.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.445 -0.785 . . . . 0.0 110.013 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -63.85 -39.07 93.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.414 -0.804 . . . . 0.0 110.208 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.68 -46.2 79.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.798 . . . . 0.0 110.213 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -61.44 -36.29 79.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.421 -0.799 . . . . 0.0 110.117 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.3 -40.35 95.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.441 -0.787 . . . . 0.0 110.097 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.69 -31.0 72.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.339 -0.851 . . . . 0.0 110.174 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -85.05 -45.75 11.83 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.84 . . . . 0.0 110.272 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -62.76 -27.27 69.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.336 -0.852 . . . . 0.0 110.235 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -84.26 -58.6 2.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.425 -0.797 . . . . 0.0 109.823 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -50.78 -34.99 29.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.515 -0.74 . . . . 0.0 109.46 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.9 -34.62 26.6 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.641 -0.662 . . . . 0.0 109.251 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -64.49 -51.98 60.24 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 109.743 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 -64.07 -29.94 71.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 0.0 109.766 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -57.03 -43.65 82.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.234 -0.916 . . . . 0.0 109.185 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.06 -23.76 62.2 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.899 -0.72 . . . . 0.0 109.48 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.85 -25.5 64.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.462 -0.774 . . . . 0.0 110.034 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.17 -33.62 16.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.382 -0.824 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.75 -26.74 60.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.316 -0.865 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -95.36 -27.04 15.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.357 -0.839 . . . . 0.0 110.404 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.33 -31.85 64.23 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.412 -0.805 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.16 10.49 37.55 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.462 -0.774 . . . . 0.0 110.647 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -117.4 -32.13 5.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.176 -0.953 . . . . 0.0 110.244 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.89 -26.99 9.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -0.865 . . . . 0.0 110.311 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.81 -18.78 50.22 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 tt -58.42 -28.14 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.166 -1.196 . . . . 0.0 110.283 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.59 99.0 8.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.365 -0.834 . . . . 0.0 110.252 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.1 t -164.01 56.1 0.16 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.352 -0.842 . . . . 0.0 110.335 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.3 m -106.8 -13.75 15.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.325 -0.86 . . . . 0.0 110.511 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.91 30.6 6.04 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.1 t -84.32 58.69 4.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.441 -1.035 . . . . 0.0 110.239 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -137.19 57.88 1.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.342 -0.849 . . . . 0.0 110.105 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -120.73 -42.55 2.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.433 -0.792 . . . . 0.0 110.247 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.7 m -123.42 87.18 2.7 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.405 -0.809 . . . . 0.0 110.36 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.64 -31.56 70.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.431 -0.793 . . . . 0.0 110.187 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -75.28 -28.18 59.67 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.223 -0.923 . . . . 0.0 109.163 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.63 99.33 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.58 -0.848 . . . . 0.0 108.734 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -30.17 71.13 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tt -76.35 -41.02 49.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.539 -0.725 . . . . 0.0 110.02 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -78.27 -53.0 7.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.467 -0.771 . . . . 0.0 110.3 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.4 tpt -52.23 -40.55 61.77 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.25 -0.906 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.8 m -66.68 -45.16 79.74 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.349 -0.844 . . . . 0.0 110.471 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.8 tp -80.54 -16.2 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m -70.41 -43.34 70.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.354 -0.841 . . . . 0.0 109.626 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -79.76 -28.38 40.39 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 109.787 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -40.3 42.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.41 -0.806 . . . . 0.0 109.938 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.66 -52.08 48.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.356 -0.84 . . . . 0.0 110.066 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -75.5 102.87 5.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.393 -0.817 . . . . 0.0 110.161 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.2 -54.35 0.68 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.26 100.52 10.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -1.09 . . . . 0.0 110.157 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -151.18 75.65 1.19 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.385 -0.822 . . . . 0.0 110.289 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.2 50.33 0.79 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.58 93.65 1.55 Allowed Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.325 -1.103 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -73.1 -15.61 25.73 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 O-C-N 123.729 1.383 . . . . 0.0 110.485 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.18 83.25 0.08 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.236 -0.915 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.9 mt -67.59 -21.5 65.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 110.248 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -24.0 59.74 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.337 -0.852 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.6 p -95.97 27.73 3.46 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.237 -0.915 . . . . 0.0 110.311 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 154.75 43.13 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.441 -0.787 . . . . 0.0 110.121 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.6 p -82.19 168.49 17.63 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.342 -0.849 . . . . 0.0 110.233 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.12 -29.1 63.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.44 -0.787 . . . . 0.0 110.174 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.97 -37.59 34.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.352 -0.843 . . . . 0.0 109.852 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -61.9 2.01 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.352 -0.842 . . . . 0.0 109.782 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -59.17 -27.55 65.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -0.824 . . . . 0.0 109.493 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -45.22 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.604 -0.685 . . . . 0.0 109.524 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.38 70.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 109.601 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -83.17 -26.77 30.59 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.486 -0.759 . . . . 0.0 110.039 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.62 -35.03 40.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.359 -0.838 . . . . 0.0 110.107 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.1 mtm -78.66 -25.74 44.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.311 -0.868 . . . . 0.0 109.388 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -76.23 -31.74 58.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.565 -0.71 . . . . 0.0 109.819 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -38.51 59.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.475 -0.765 . . . . 0.0 109.982 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.8 m -64.39 -48.28 76.03 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.441 -0.787 . . . . 0.0 110.112 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -36.77 85.41 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.397 -0.815 . . . . 0.0 110.136 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -97.6 57.4 1.37 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.407 -0.808 . . . . 0.0 110.206 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.37 -38.55 95.09 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.7 93.19 2.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.369 -1.077 . . . . 0.0 110.123 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.61 -35.7 81.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 110.225 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -136.05 -44.01 0.64 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 110.247 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.87 73.29 0.73 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -149.96 69.98 1.03 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.329 -1.101 . . . . 0.0 110.187 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -167.63 103.63 0.5 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.235 -0.916 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 51.95 93.99 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.324 -0.86 . . . . 0.0 110.484 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.2 m -73.64 -170.23 0.82 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.416 -0.802 . . . . 0.0 110.259 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.223 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.2 p80 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.143 0.496 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.35 -174.79 5.35 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.433 -0.792 . . . . 0.0 110.183 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -111.91 26.61 10.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.474 -0.766 . . . . 0.0 109.463 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.29 -130.79 7.07 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -112.13 -29.03 7.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.359 -1.083 . . . . 0.0 110.158 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.21 123.96 1.3 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.93 30.25 3.11 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.325 -1.103 . . . . 0.0 110.317 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.6 p -143.86 26.7 1.53 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.353 -0.842 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.59 -14.34 21.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.317 -0.864 . . . . 0.0 110.526 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -77.99 80.55 4.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.148 -0.97 . . . . 0.0 110.243 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -164.72 35.16 0.07 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.338 -0.851 . . . . 0.0 110.5 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -170.18 -44.36 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.356 -0.84 . . . . 0.0 110.225 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.15 -15.2 56.38 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.4 t -80.43 -60.56 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.138 -1.213 . . . . 0.0 110.109 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -152.58 155.41 32.65 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.863 . . . . 0.0 110.243 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.82 -17.56 32.68 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 O-C-N 123.798 1.42 . . . . 0.0 110.483 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -63.8 -16.47 61.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.892 . . . . 0.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.99 -29.32 60.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.227 -0.921 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.98 118.21 0.67 Allowed Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.472 -0.767 . . . . 0.0 110.255 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -74.51 -36.14 3.2 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 O-C-N 123.941 1.495 . . . . 0.0 110.398 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.09 -39.8 91.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.452 -0.78 . . . . 0.0 110.289 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -71.86 -32.12 67.17 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.026 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.04 67.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.357 -0.839 . . . . 0.0 110.072 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -45.1 62.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.331 -0.855 . . . . 0.0 110.047 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.0 76.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.351 -0.843 . . . . 0.0 110.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.6 tp -75.16 -21.34 58.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.352 -0.843 . . . . 0.0 110.332 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -80.57 -30.6 36.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 0.0 109.188 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.0 t -77.77 -28.43 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.658 -0.651 . . . . 0.0 109.703 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 m -77.66 -36.88 50.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.482 -0.761 . . . . 0.0 109.995 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.3 mtm -68.87 -37.13 78.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.453 -0.779 . . . . 0.0 110.037 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.88 -40.82 79.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.41 -0.807 . . . . 0.0 110.1 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -60.75 -44.82 96.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.271 -0.893 . . . . 0.0 110.058 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -33.11 72.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.331 -0.856 . . . . 0.0 110.023 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -37.18 71.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.431 -0.793 . . . . 0.0 109.928 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.65 -41.48 90.63 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.494 -0.754 . . . . 0.0 110.082 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -46.16 65.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.41 -0.806 . . . . 0.0 109.994 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -65.12 -24.73 67.5 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.32 -0.862 . . . . 0.0 110.035 179.763 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -83.82 -58.56 2.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.452 -0.78 . . . . 0.0 109.514 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.86 -33.35 35.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.515 -0.741 . . . . 0.0 109.323 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -83.24 -33.64 26.03 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -64.39 -54.24 35.99 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.481 -0.762 . . . . 0.0 109.581 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 ptt85 -65.88 -30.44 71.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.442 -0.786 . . . . 0.0 109.575 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -44.41 68.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.376 -0.828 . . . . 0.0 109.312 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.87 -24.58 59.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.546 -0.721 . . . . 0.0 109.373 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.58 -34.82 77.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.507 -0.745 . . . . 0.0 109.972 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.89 -38.93 16.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.414 -0.804 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.12 -37.11 83.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.405 -0.809 . . . . 0.0 110.084 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -32.91 37.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.429 -0.795 . . . . 0.0 110.063 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.15 -28.94 64.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.36 -0.838 . . . . 0.0 110.04 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.47 16.95 14.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.457 -0.777 . . . . 0.0 110.242 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.38 -43.87 0.77 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 0.0 109.912 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.44 -26.91 60.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 0.0 109.924 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.38 -97.41 0.72 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 tp -140.31 -42.04 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.323 -1.104 . . . . 0.0 110.289 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -175.04 -73.63 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.187 -0.946 . . . . 0.0 110.15 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.7 p -113.06 -168.33 1.31 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.084 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.5 m -142.9 85.82 1.9 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.342 -0.849 . . . . 0.0 110.192 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.23 -76.36 0.02 OUTLIER Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.8 p -131.06 101.63 5.68 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.347 -1.09 . . . . 0.0 110.308 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.58 58.52 1.61 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.477 -0.764 . . . . 0.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.45 -44.8 23.76 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.315 -0.866 . . . . 0.0 110.091 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.77 105.27 6.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.409 -0.807 . . . . 0.0 110.005 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.93 -33.12 49.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.304 -0.872 . . . . 0.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.79 -31.5 57.03 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.16 -0.962 . . . . 0.0 109.242 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.24 78.33 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.531 -0.867 . . . . 0.0 108.86 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.437 ' O ' ' CG2' ' A' ' 70' ' ' THR . 7.8 tt -61.01 -28.58 69.15 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 tt -77.26 -33.99 55.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.635 -0.665 . . . . 0.0 109.616 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -82.94 -56.74 3.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.493 -0.754 . . . . 0.0 110.107 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.9 mtt -52.22 -37.96 56.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.274 -0.891 . . . . 0.0 110.734 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 66' ' ' LEU . 7.7 t -72.05 -39.13 69.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.2 -0.938 . . . . 0.0 110.277 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.441 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 4.0 tp -85.71 -8.01 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.266 -0.896 . . . . 0.0 110.34 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -85.28 -40.12 16.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 109.754 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -92.45 -20.3 21.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.438 -0.789 . . . . 0.0 110.19 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -93.48 -33.06 13.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.873 . . . . 0.0 110.427 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 5.6 tm-20 -91.27 -35.24 14.58 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.259 -0.901 . . . . 0.0 110.13 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -116.48 81.02 1.55 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 110.176 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.4 -68.57 0.01 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -105.2 108.01 19.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -1.053 . . . . 0.0 110.082 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 m -143.1 16.68 1.91 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.361 -0.837 . . . . 0.0 110.486 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.54 13.86 66.58 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -174.89 95.56 0.28 Allowed Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.168 -1.195 . . . . 0.0 110.194 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.57 108.49 2.55 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.694 1.365 . . . . 0.0 110.475 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.05 73.26 10.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.365 -0.834 . . . . 0.0 110.193 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.49 -25.77 66.32 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.412 -0.805 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -32.67 69.36 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.376 -0.828 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -119.24 44.95 2.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 110.212 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 mtt -110.76 140.08 45.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.398 -0.814 . . . . 0.0 110.142 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.7 p -73.34 171.02 13.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.462 -0.774 . . . . 0.0 110.31 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.87 -33.55 66.96 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.184 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -80.62 -33.74 35.6 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.348 -0.845 . . . . 0.0 110.164 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -55.95 -62.26 1.82 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.318 -0.864 . . . . 0.0 110.013 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.07 -25.02 66.65 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.46 -0.775 . . . . 0.0 109.595 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.66 -43.71 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.464 -0.772 . . . . 0.0 109.623 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.98 -30.07 70.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.351 -0.843 . . . . 0.0 109.657 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -85.92 -46.26 10.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.468 -0.77 . . . . 0.0 110.026 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.9 64.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 110.18 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.1 ttm -83.22 -29.34 28.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 109.672 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -68.84 -32.92 72.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.459 -0.776 . . . . 0.0 109.862 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.9 mmm -87.27 -21.6 25.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.481 -0.762 . . . . 0.0 110.205 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -81.85 -28.49 32.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.267 -0.896 . . . . 0.0 110.365 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.17 -39.27 89.5 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.332 -0.855 . . . . 0.0 110.132 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -105.17 42.64 1.2 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.418 -0.801 . . . . 0.0 110.117 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -102.66 -119.41 4.59 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -162.04 81.15 0.55 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.361 -1.082 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.7 61.79 6.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.38 -0.825 . . . . 0.0 110.22 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.46 85.42 1.13 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.379 -0.825 . . . . 0.0 110.186 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 91.75 -50.34 2.88 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -94.02 52.63 1.66 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.405 -1.056 . . . . 0.0 110.156 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' SER . . . -93.66 -35.28 12.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.39 -0.819 . . . . 0.0 110.265 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.34 -78.36 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.552 -0.718 . . . . 0.0 110.403 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' ALA . 14.5 t -77.54 141.27 39.67 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.322 -0.861 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.183 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.176 0.512 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 179.97 7.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.424 -0.797 . . . . 0.0 110.215 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 tp -112.13 25.45 11.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.34 -0.85 . . . . 0.0 109.555 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.22 1.26 89.0 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 53.27 82.39 0.08 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.083 -1.246 . . . . 0.0 110.341 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.66 -13.6 83.34 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 54.86 25.7 6.98 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.131 -1.217 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.17 -38.25 2.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.329 -0.857 . . . . 0.0 110.202 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.41 -36.97 79.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.177 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.28 103.63 6.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.316 -0.865 . . . . 0.0 110.156 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.52 44.53 1.11 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.447 -0.783 . . . . 0.0 110.214 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -131.39 30.88 4.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.471 -0.768 . . . . 0.0 110.276 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.16 -26.64 3.37 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.413 ' HB ' ' CB ' ' A' ' 18' ' ' ALA . 61.1 t 52.95 32.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.344 -1.092 . . . . 0.0 110.13 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.5 OUTLIER 60.22 176.1 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.801 0 O-C-N 121.381 -0.825 . . . . 0.0 110.05 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 43.2 Cg_endo -69.69 -18.0 37.58 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.668 1.351 . . . . 0.0 110.356 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -21.92 65.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.363 -0.835 . . . . 0.0 109.945 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' CB ' ' HB ' ' A' ' 14' ' ' VAL . . . -53.83 -31.48 49.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.311 -0.868 . . . . 0.0 110.52 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -148.85 109.7 3.52 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -74.69 -40.13 1.14 Allowed 'Trans proline' 0 C--N 1.306 -1.676 0 O-C-N 124.084 1.57 . . . . 0.0 110.421 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.45 -41.78 69.85 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.34 -0.85 . . . . 0.0 110.201 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.91 -38.08 85.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.361 -0.837 . . . . 0.0 109.795 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.21 78.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.519 -0.738 . . . . 0.0 110.057 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.65 -34.2 64.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.304 -0.872 . . . . 0.0 109.976 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.82 97.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.382 -0.824 . . . . 0.0 110.083 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.8 tp -76.15 -21.56 56.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.318 -0.864 . . . . 0.0 110.311 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -80.56 -29.32 37.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.877 . . . . 0.0 109.389 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.63 -28.81 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.566 -0.708 . . . . 0.0 109.796 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 t -74.84 -45.61 42.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.444 -0.785 . . . . 0.0 110.033 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -64.09 -37.95 89.3 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.416 -0.803 . . . . 0.0 110.075 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.7 -34.32 75.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.427 -0.795 . . . . 0.0 110.088 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.71 -51.36 67.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.361 -0.837 . . . . 0.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -58.63 -33.16 69.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.313 -0.867 . . . . 0.0 110.149 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -40.02 67.23 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.393 -0.817 . . . . 0.0 110.031 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -35.76 69.76 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.406 -0.809 . . . . 0.0 110.091 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -43.07 63.57 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.425 -0.797 . . . . 0.0 109.908 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -72.71 -21.93 60.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.426 -0.796 . . . . 0.0 110.071 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.44 -58.34 3.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.47 -0.769 . . . . 0.0 109.538 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.56 -31.81 37.8 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.421 -0.799 . . . . 0.0 109.148 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -84.59 -34.64 23.12 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -64.39 -53.9 41.2 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.47 -0.769 . . . . 0.0 109.501 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 ptt85 -63.56 -30.95 71.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.388 -0.82 . . . . 0.0 109.571 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -44.56 71.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.42 -0.8 . . . . 0.0 109.273 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.96 -23.18 60.64 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.502 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.97 -34.0 74.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.495 -0.753 . . . . 0.0 110.052 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.73 -39.88 15.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.406 -0.809 . . . . 0.0 110.167 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.47 -28.03 68.01 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.318 -0.864 . . . . 0.0 110.143 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.23 -28.34 15.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.377 -0.827 . . . . 0.0 110.111 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.27 -25.87 66.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.372 -0.83 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.41 -26.45 65.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.342 -0.849 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.26 -33.01 72.6 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.405 -0.81 . . . . 0.0 110.13 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.36 -28.51 38.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.327 -0.858 . . . . 0.0 110.103 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.08 -69.73 1.19 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.0 pt -122.98 -140.01 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -1.1 . . . . 0.0 109.771 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.54 -66.83 0.09 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.054 -1.029 . . . . 0.0 110.168 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.6 p -112.16 137.43 50.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.358 -0.839 . . . . 0.0 110.152 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -119.81 -170.6 1.98 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.359 -0.838 . . . . 0.0 110.252 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.69 82.59 0.16 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -117.68 55.42 0.87 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -1.084 . . . . 0.0 110.203 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.61 71.68 1.33 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.807 . . . . 0.0 110.196 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -100.5 -61.27 1.39 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.312 -0.868 . . . . 0.0 110.103 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.2 m -114.17 79.59 1.28 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.312 -0.867 . . . . 0.0 110.178 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -29.96 70.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.376 -0.827 . . . . 0.0 110.197 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.6 -32.15 53.43 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.215 -0.928 . . . . 0.0 109.331 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.12 81.15 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.5 -0.88 . . . . 0.0 108.823 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -30.95 67.79 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -74.52 -40.9 61.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.556 -0.715 . . . . 0.0 109.616 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' SER . 8.4 mmtt -81.07 -53.37 6.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.545 -0.722 . . . . 0.0 110.334 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 ttt -54.08 -41.13 67.87 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.206 -0.934 . . . . 0.0 110.636 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -68.1 -43.32 78.74 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.27 -0.894 . . . . 0.0 110.552 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.6 tp -83.44 -13.17 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 110.511 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 48.3 t -75.5 -46.18 33.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 0.0 109.887 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -79.41 -28.32 41.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.399 -0.813 . . . . 0.0 110.018 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -78.56 -46.98 18.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.365 -0.834 . . . . 0.0 110.111 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -45.68 93.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.39 -0.819 . . . . 0.0 110.047 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -64.07 -20.84 66.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.361 -0.837 . . . . 0.0 110.336 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -94.9 23.66 31.96 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.14 10.17 41.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.326 -1.102 . . . . 0.0 110.508 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.1 t -88.36 73.81 8.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.226 -0.921 . . . . 0.0 110.319 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -94.94 28.62 11.01 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.9 95.61 1.13 Allowed Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.417 -1.049 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.76 -9.37 25.63 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.716 1.377 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 56.28 54.57 7.56 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.167 -0.958 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.9 mt -60.09 -28.26 67.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.33 -0.856 . . . . 0.0 110.183 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -21.39 65.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.301 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -95.04 25.88 3.96 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 110.402 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 8.8 mtm -133.03 155.72 48.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.306 -0.871 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 76.2 p -57.56 155.24 9.95 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.349 -0.845 . . . . 0.0 110.067 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.64 -26.95 36.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.303 -0.873 . . . . 0.0 110.342 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -85.48 -34.62 21.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.424 -0.797 . . . . 0.0 110.116 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.03 -59.53 5.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.304 -0.873 . . . . 0.0 109.206 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 1.5 pt20 -59.8 -21.65 61.14 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.482 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.4 ' N ' ' HG3' ' A' ' 92' ' ' GLN . 0.2 OUTLIER -75.06 -45.58 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.452 -0.78 . . . . 0.0 109.366 179.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.22 68.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -0.834 . . . . 0.0 109.566 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -81.36 -37.21 28.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.562 -0.712 . . . . 0.0 110.064 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.41 -30.56 66.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.337 -0.852 . . . . 0.0 110.283 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -25.42 37.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.349 -0.844 . . . . 0.0 109.746 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -36.65 68.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.452 -0.78 . . . . 0.0 109.894 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 38.3 tpp -79.32 -26.23 42.21 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.448 -0.782 . . . . 0.0 110.194 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.7 p -73.95 -28.31 61.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.355 -0.84 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.64 53.5 2.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.346 -0.846 . . . . 0.0 110.201 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -120.02 -28.94 5.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.361 -0.837 . . . . 0.0 110.464 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.44 54.57 1.07 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.9 80.69 1.65 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.359 -1.083 . . . . 0.0 110.108 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -58.42 -27.63 64.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.411 -0.805 . . . . 0.0 110.248 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -151.94 -54.96 0.13 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.359 -0.838 . . . . 0.0 110.23 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 150.47 -48.75 0.57 Allowed Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -128.62 92.5 3.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.35 -1.088 . . . . 0.0 110.245 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -165.07 71.71 0.18 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.386 -0.821 . . . . 0.0 110.17 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 52.36 91.91 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.336 -0.852 . . . . 0.0 110.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.8 p -95.9 119.23 34.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.185 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 43.9 t60 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.184 0.516 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.9 -172.45 2.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.359 -0.838 . . . . 0.0 110.238 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.4 mt -111.0 24.62 12.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.438 -0.788 . . . . 0.0 109.408 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 77.03 1.02 Allowed Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.41 -71.74 0.18 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.399 -1.059 . . . . 0.0 110.16 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.67 128.92 9.64 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.69 25.41 11.01 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.334 -1.098 . . . . 0.0 110.239 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.12 -39.76 2.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.284 -0.885 . . . . 0.0 110.261 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.86 -41.04 97.35 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.347 -0.846 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -132.02 100.04 4.93 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.43 -0.794 . . . . 0.0 110.214 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -167.51 49.49 0.06 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.338 -0.851 . . . . 0.0 110.211 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -147.25 26.73 1.06 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.41 -0.806 . . . . 0.0 110.231 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.46 -30.31 4.98 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG22 ' N ' ' A' ' 15' ' ' ASP . 34.9 m -61.27 -19.92 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.374 -1.074 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.402 ' N ' HG22 ' A' ' 14' ' ' VAL . 13.7 m-20 -129.1 165.33 32.99 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.376 -0.827 . . . . 0.0 110.093 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.29 -21.79 30.54 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 O-C-N 123.848 1.446 . . . . 0.0 110.652 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 t -60.06 -22.59 62.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.297 -0.877 . . . . 0.0 110.269 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.95 -23.74 66.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.313 -0.867 . . . . 0.0 110.346 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -169.54 123.64 0.68 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 0.0 110.008 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -75.71 -40.16 0.82 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 124.027 1.54 . . . . 0.0 110.414 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.29 -38.71 90.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -32.55 66.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.431 -0.793 . . . . 0.0 110.147 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -34.84 67.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.361 -0.837 . . . . 0.0 110.175 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -44.24 77.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.39 -0.819 . . . . 0.0 109.974 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.2 72.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 110.045 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -21.31 62.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.458 -0.776 . . . . 0.0 110.224 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -84.98 -33.54 22.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -0.874 . . . . 0.0 109.448 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.0 t -72.9 -29.03 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.458 -0.776 . . . . 0.0 109.824 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -79.27 -46.17 18.32 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.442 -0.786 . . . . 0.0 110.123 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.7 tpp -64.5 -33.83 76.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 0.0 110.045 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -72.0 -36.63 69.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.31 -0.869 . . . . 0.0 110.086 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.57 -43.87 83.81 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.354 -0.841 . . . . 0.0 109.941 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -36.37 82.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.369 -0.832 . . . . 0.0 110.002 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -35.72 75.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.371 -0.83 . . . . 0.0 110.049 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.54 -39.36 90.79 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.337 -0.852 . . . . 0.0 110.001 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.9 mtt85 -71.8 -37.38 70.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.819 . . . . 0.0 109.926 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 4.4 tp-100 -74.91 -24.61 58.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.44 -0.788 . . . . 0.0 110.137 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -77.32 -53.96 7.05 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.82 . . . . 0.0 109.417 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.27 -32.4 56.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.373 -0.83 . . . . 0.0 108.813 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.36 -36.04 21.01 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.709 -0.619 . . . . 0.0 109.39 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -67.41 -56.86 7.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.349 -0.844 . . . . 0.0 109.783 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -59.52 -36.19 75.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.388 -0.82 . . . . 0.0 110.151 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -42.63 76.96 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.293 -0.879 . . . . 0.0 110.041 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.79 -28.24 63.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.384 -0.823 . . . . 0.0 109.906 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.49 64.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.382 -0.824 . . . . 0.0 110.096 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.51 -39.27 88.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.401 -0.812 . . . . 0.0 110.147 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -34.65 78.88 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.331 -0.856 . . . . 0.0 110.09 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -51.97 9.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.369 -0.832 . . . . 0.0 110.118 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.3 -24.19 66.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.412 -0.805 . . . . 0.0 110.207 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.67 20.54 8.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.887 . . . . 0.0 110.405 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -149.56 -59.88 0.21 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.872 . . . . 0.0 110.221 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.06 29.11 7.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.344 -0.848 . . . . 0.0 110.245 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.76 -91.89 1.34 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 pt -147.71 47.06 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.326 -1.102 . . . . 0.0 110.217 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.65 -176.2 2.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.349 -0.844 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.44 57.08 0.88 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.362 -0.836 . . . . 0.0 110.129 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.5 t -135.59 170.42 15.99 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.397 -0.814 . . . . 0.0 110.17 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -128.5 -78.96 0.24 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -146.57 84.18 1.61 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.397 -1.061 . . . . 0.0 110.199 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' SER . 9.6 mt-10 -119.86 43.72 2.59 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.337 -0.852 . . . . 0.0 110.474 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.631 ' O ' ' N ' ' A' ' 63' ' ' ASP . 1.6 m-20 -55.75 97.35 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' GLU . 5.4 p -50.92 79.28 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.733 0.778 . . . . 0.0 110.732 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.631 ' N ' ' O ' ' A' ' 61' ' ' ASP . 34.7 t70 -56.25 -27.77 56.24 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.727 -0.608 . . . . 0.0 110.367 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -77.36 -32.07 54.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.184 -0.948 . . . . 0.0 109.27 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.74 82.72 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.419 -0.913 . . . . 0.0 108.641 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -30.67 68.9 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -75.99 -43.0 46.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.591 -0.693 . . . . 0.0 109.596 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -74.92 -52.7 10.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.464 -0.773 . . . . 0.0 110.021 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.6 ttt -51.47 -37.54 49.4 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.378 -0.826 . . . . 0.0 110.648 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -68.34 -45.63 72.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.284 -0.885 . . . . 0.0 110.405 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.5 tp -82.8 -12.07 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.233 -0.917 . . . . 0.0 110.33 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.88 -45.68 34.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.923 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.95 -25.29 34.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.35 -0.844 . . . . 0.0 110.191 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -82.31 -38.87 23.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.53 -42.7 67.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.33 -0.857 . . . . 0.0 110.122 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -60.7 89.08 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.389 -0.82 . . . . 0.0 110.297 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.48 -49.34 0.04 OUTLIER Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -90.11 -39.18 13.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.417 -1.049 . . . . 0.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 79' ' ' THR . 78.7 m 51.84 29.49 6.01 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.294 -0.879 . . . . 0.0 109.824 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.58 -87.5 0.75 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -149.15 114.56 3.63 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.374 -1.074 . . . . 0.0 109.831 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.24 -5.52 17.31 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 O-C-N 123.566 1.298 . . . . 0.0 110.716 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.08 95.35 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.188 -0.945 . . . . 0.0 110.561 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.68 -28.81 22.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.386 -0.821 . . . . 0.0 110.059 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -13.7 62.41 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.365 -0.834 . . . . 0.0 110.492 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.11 29.33 2.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.2 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 39.4 mtt -113.02 131.39 55.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.373 -0.829 . . . . 0.0 110.11 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.438 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 69.3 p -65.26 -172.42 0.1 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.371 -0.831 . . . . 0.0 110.414 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.9 -33.34 75.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.526 -0.734 . . . . 0.0 110.155 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -84.58 -31.69 24.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.459 -0.776 . . . . 0.0 110.224 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' HB2' ' N ' ' A' ' 88' ' ' THR . 5.4 mt-10 -58.82 -61.9 2.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.225 -0.922 . . . . 0.0 109.602 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -59.32 -29.63 67.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.34 -0.85 . . . . 0.0 109.212 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -34.54 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.4 -34.7 77.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.422 -0.799 . . . . 0.0 109.357 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.41 -44.01 30.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.556 -0.715 . . . . 0.0 109.958 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.13 81.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.498 -0.751 . . . . 0.0 110.255 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.7 mtp -77.19 -24.3 51.39 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.334 -0.854 . . . . 0.0 109.556 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.15 -46.29 74.5 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.496 -0.752 . . . . 0.0 109.804 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 29.9 mtm -69.87 -32.53 70.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.396 -0.815 . . . . 0.0 109.987 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -26.72 53.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.337 -0.852 . . . . 0.0 110.126 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.93 65.88 1.11 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 57.24 96.4 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.341 -0.85 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.14 56.25 0.01 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 106' ' ' PHE . . . -104.29 82.34 1.93 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.375 -1.074 . . . . 0.0 110.225 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 106' ' ' PHE . 2.0 tt0 63.31 -75.0 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.39 -0.819 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 1.5 t80 73.22 -58.61 0.59 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.557 -0.714 . . . . 0.0 109.629 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 137.47 -167.77 24.65 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -89.57 50.55 1.93 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.373 -1.075 . . . . 0.0 110.256 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.05 49.14 1.59 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.178 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -109.42 -33.23 6.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.365 -0.834 . . . . 0.0 110.115 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.6 p -158.1 126.85 5.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 110.152 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.195 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.158 0.504 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 mtm -88.67 -179.99 6.13 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.378 -0.826 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -111.38 26.44 10.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.463 -0.773 . . . . 0.0 109.423 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.29 -33.51 6.5 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.739 -1.345 . . . . 0.0 109.739 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.84 82.54 1.67 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.283 -1.128 . . . . 0.0 110.357 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.2 105.63 0.85 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 52.4 28.85 6.21 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.297 -1.119 . . . . 0.0 110.489 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -131.51 14.21 4.98 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.314 -0.866 . . . . 0.0 110.471 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.31 -20.76 29.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.155 -0.966 . . . . 0.0 110.335 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -175.39 106.5 0.09 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.521 -0.737 . . . . 0.0 109.869 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -97.73 57.57 1.35 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.308 -0.87 . . . . 0.0 110.334 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.77 -54.07 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.412 -0.805 . . . . 0.0 110.095 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.27 62.83 0.73 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -105.35 -28.73 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.339 -1.095 . . . . 0.0 110.016 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.524 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -153.15 179.79 1.21 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 109.85 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.524 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 37.2 Cg_endo -61.67 78.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.577 1.304 . . . . 0.0 110.43 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER 70.38 48.23 0.49 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.231 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.86 27.93 0.53 Allowed 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.712 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -164.08 117.47 1.02 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.256 -0.902 . . . . 0.0 110.472 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.33 -37.21 2.65 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 O-C-N 124.077 1.567 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.4 -42.85 99.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.37 -0.831 . . . . 0.0 109.873 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.61 -32.08 73.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.366 -0.834 . . . . 0.0 110.017 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -58.09 7.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.417 -0.802 . . . . 0.0 110.057 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.96 -30.21 70.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.343 -0.848 . . . . 0.0 110.115 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.53 88.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.362 -0.836 . . . . 0.0 109.957 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -23.67 66.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.395 -0.816 . . . . 0.0 110.083 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -78.6 -30.06 46.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.361 -0.837 . . . . 0.0 109.084 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.95 -31.13 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.457 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -37.01 62.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.411 -0.806 . . . . 0.0 109.819 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.3 mtt -61.96 -46.02 91.09 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.496 -0.753 . . . . 0.0 109.845 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -61.52 -43.93 97.97 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.915 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -32.21 70.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.392 -0.817 . . . . 0.0 109.909 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.17 -41.46 94.62 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.378 -0.826 . . . . 0.0 109.843 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -47.81 84.35 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.373 -0.83 . . . . 0.0 109.762 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -56.9 -29.61 63.16 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.398 -0.814 . . . . 0.0 109.749 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -42.58 34.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.543 -0.723 . . . . 0.0 109.768 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 1.8 tm0? -64.5 -29.58 70.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.372 -0.83 . . . . 0.0 109.896 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -83.52 -56.38 3.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.441 -0.787 . . . . 0.0 109.539 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.06 -31.96 44.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.425 -0.797 . . . . 0.0 109.246 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -85.31 -33.51 22.08 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -65.0 -51.78 59.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.436 -0.79 . . . . 0.0 109.648 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -65.63 -31.83 73.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 109.57 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -53.61 -47.84 69.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.831 . . . . 0.0 109.262 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.75 -25.05 65.43 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.127 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.96 79.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.608 -0.682 . . . . 0.0 109.931 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.37 -41.35 14.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.432 -0.792 . . . . 0.0 110.045 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.27 69.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.345 -0.847 . . . . 0.0 110.066 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.9 t -84.41 -39.02 19.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.404 -0.81 . . . . 0.0 110.134 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.9 69.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.409 -0.807 . . . . 0.0 110.098 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.41 -8.45 56.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.392 -0.817 . . . . 0.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -104.84 -42.49 5.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.229 -0.919 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.18 27.86 7.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.831 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.39 -29.37 4.51 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.4 mp -77.89 -54.45 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.221 -1.164 . . . . 0.0 109.864 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.95 -175.18 4.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.475 -0.766 . . . . 0.0 110.189 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.2 p -141.35 52.84 1.55 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.154 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -130.98 152.37 50.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.366 -0.834 . . . . 0.0 110.17 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -132.72 83.33 0.3 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.8 m -72.32 65.74 0.63 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.392 -1.064 . . . . 0.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.28 59.47 4.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -0.863 . . . . 0.0 110.13 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.07 -43.12 8.66 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.439 -0.788 . . . . 0.0 110.162 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.26 75.87 1.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.388 -0.82 . . . . 0.0 110.122 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -76.98 -48.94 16.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.401 -0.812 . . . . 0.0 110.286 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.7 -28.45 60.81 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.266 -0.896 . . . . 0.0 109.176 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.81 95.75 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.566 -0.854 . . . . 0.0 108.796 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -28.36 69.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.03 -47.72 27.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.413 -0.804 . . . . 0.0 109.874 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -79.45 -51.52 9.25 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.399 -0.813 . . . . 0.0 110.678 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.9 tpt -54.01 -37.84 64.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.147 -0.971 . . . . 0.0 110.776 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.2 m -72.73 -41.39 65.22 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.203 -0.935 . . . . 0.0 110.65 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 tp -81.36 -18.8 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.127 -0.983 . . . . 0.0 110.056 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.2 m -73.82 -37.31 64.9 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.36 -0.837 . . . . 0.0 109.427 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.65 -25.69 38.13 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.487 -0.758 . . . . 0.0 109.948 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.75 -42.48 11.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.418 -0.801 . . . . 0.0 110.238 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.7 -37.97 87.92 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.831 . . . . 0.0 110.145 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.54 85.68 6.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.377 -0.827 . . . . 0.0 110.164 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.81 -43.57 0.33 Allowed Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.81 111.5 5.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.441 -1.035 . . . . 0.0 110.107 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -132.3 63.75 1.62 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.418 -0.801 . . . . 0.0 110.291 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.3 39.36 2.87 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 pp -167.17 118.14 0.73 Allowed Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.342 -1.093 . . . . 0.0 110.273 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.94 113.21 3.71 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.539 1.284 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -121.74 81.83 1.87 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.409 -0.807 . . . . 0.0 110.208 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.2 mt -70.71 -31.32 68.14 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.337 -0.852 . . . . 0.0 110.238 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.3 t -60.11 -28.75 68.11 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.327 -0.858 . . . . 0.0 110.25 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.2 m -103.52 46.39 0.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.334 -0.853 . . . . 0.0 110.226 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 mtt -135.93 122.12 20.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.352 -0.843 . . . . 0.0 110.214 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.44 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 64.0 p -66.13 -173.17 0.17 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.393 -0.817 . . . . 0.0 110.268 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.2 -33.52 73.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.479 -0.763 . . . . 0.0 110.204 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -82.57 -33.55 28.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.41 -0.807 . . . . 0.0 110.371 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.44 ' HB2' ' N ' ' A' ' 88' ' ' THR . 28.1 mm-40 -57.29 -62.12 2.0 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.24 -0.912 . . . . 0.0 109.844 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -59.34 -29.11 67.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.286 -0.884 . . . . 0.0 109.29 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 mt -71.8 -33.53 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.577 -0.702 . . . . 0.0 109.223 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.17 -28.6 69.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.378 -0.826 . . . . 0.0 109.439 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.58 -40.48 16.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.478 -0.764 . . . . 0.0 110.179 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.12 -27.77 48.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.36 -0.838 . . . . 0.0 110.349 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.2 ttm -83.09 -27.74 30.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.88 . . . . 0.0 109.732 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -75.54 -34.91 60.79 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.437 -0.789 . . . . 0.0 109.986 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.7 mmm -80.1 -28.43 39.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.426 -0.796 . . . . 0.0 110.004 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.8 t -76.18 -28.38 57.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.365 -0.834 . . . . 0.0 110.038 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.72 26.45 4.51 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.343 -0.848 . . . . 0.0 110.114 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -86.22 -25.38 25.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.349 -0.844 . . . . 0.0 110.211 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.84 96.72 0.33 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.86 74.78 1.46 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.335 -1.097 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -127.6 29.23 5.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -0.874 . . . . 0.0 110.114 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -113.63 -63.4 1.45 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.375 -0.828 . . . . 0.0 110.211 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.04 94.15 0.09 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -125.61 73.18 1.31 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -1.07 . . . . 0.0 110.224 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -151.15 62.87 0.9 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.339 -0.851 . . . . 0.0 110.205 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -107.2 -44.48 4.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.145 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.96 -44.9 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.452 -0.78 . . . . 0.0 110.238 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.173 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.183 0.516 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 53.78 178.23 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.374 -0.829 . . . . 0.0 110.556 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mp -113.13 24.7 12.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.57 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.22 68.64 3.48 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mp 52.55 78.61 0.13 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.321 -1.105 . . . . 0.0 110.327 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.4 47.32 0.68 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 52.67 27.02 4.82 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.283 -1.128 . . . . 0.0 110.486 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -111.13 -27.54 8.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.845 . . . . 0.0 110.106 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -22.04 64.86 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.844 . . . . 0.0 110.275 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 31.6 p90 -156.84 118.56 3.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.322 -0.861 . . . . 0.0 110.145 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -135.76 53.74 1.94 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.339 -0.85 . . . . 0.0 110.222 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 53.6 23.62 3.69 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.431 -0.793 . . . . 0.0 110.554 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.96 5.64 6.09 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.414 HG21 ' N ' ' A' ' 15' ' ' ASP . 34.3 m -120.15 -31.21 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.189 -1.183 . . . . 0.0 110.384 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.414 ' N ' HG21 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -68.78 170.37 8.6 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.233 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.03 -18.13 31.3 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 O-C-N 123.827 1.436 . . . . 0.0 110.397 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -21.42 66.73 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.318 -0.864 . . . . 0.0 110.289 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.25 -35.55 37.66 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.185 -0.947 . . . . 0.0 110.429 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.37 119.93 0.6 Allowed Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.358 -0.839 . . . . 0.0 110.075 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -75.22 -35.06 3.2 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 O-C-N 123.958 1.504 . . . . 0.0 110.394 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -32.96 74.75 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.359 -0.838 . . . . 0.0 110.159 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -27.75 43.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.503 -0.748 . . . . 0.0 110.203 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.66 -46.69 65.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.795 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.85 -40.01 79.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.294 -0.879 . . . . 0.0 110.125 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.59 71.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.305 -0.872 . . . . 0.0 110.177 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -21.63 66.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.286 -0.884 . . . . 0.0 110.165 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -32.81 39.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.355 -0.841 . . . . 0.0 109.078 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.4 t -69.28 -31.54 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.522 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -40.44 61.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.454 -0.779 . . . . 0.0 109.883 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtp -61.7 -44.43 96.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.422 -0.799 . . . . 0.0 109.977 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.72 -38.91 89.65 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 0.0 109.939 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.56 -36.07 79.58 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.374 -0.829 . . . . 0.0 109.996 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -38.28 89.96 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.366 -0.834 . . . . 0.0 109.852 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -40.23 96.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.394 -0.816 . . . . 0.0 109.963 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.94 -40.12 92.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.43 -0.794 . . . . 0.0 110.048 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -44.61 66.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.451 -0.781 . . . . 0.0 109.903 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.425 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -66.97 -24.33 66.04 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.385 -0.822 . . . . 0.0 110.015 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -83.83 -54.42 4.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.42 -0.8 . . . . 0.0 109.57 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -52.88 -34.25 53.86 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.306 -0.871 . . . . 0.0 109.017 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.01 -34.66 24.26 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.752 -0.592 . . . . 0.0 109.412 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -68.61 -56.43 8.25 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.345 -0.847 . . . . 0.0 109.85 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -59.05 -35.99 74.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.424 -0.797 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -57.61 -49.78 75.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.264 -0.897 . . . . 0.0 109.966 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.15 -27.81 66.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.349 -0.844 . . . . 0.0 109.946 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.75 83.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.392 -0.817 . . . . 0.0 110.032 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.0 68.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 110.062 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.31 -33.9 61.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.417 -0.802 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -68.61 -33.25 73.72 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.329 -0.857 . . . . 0.0 110.095 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.74 -32.71 41.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.152 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.44 -10.94 47.46 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.426 -0.796 . . . . 0.0 110.477 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -111.49 -51.29 2.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.285 -0.884 . . . . 0.0 110.248 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.0 24.8 10.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 110.383 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.93 -55.29 1.77 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 mp -126.97 24.35 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.312 -1.111 . . . . 0.0 110.034 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.74 152.98 42.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.334 -0.854 . . . . 0.0 110.193 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 m -108.68 58.58 0.61 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.354 -0.842 . . . . 0.0 110.187 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.8 p -102.16 -169.5 1.68 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.371 -0.831 . . . . 0.0 110.186 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.87 -64.22 0.02 OUTLIER Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 m -119.48 71.82 0.89 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.36 -1.082 . . . . 0.0 110.167 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -128.67 45.27 2.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.351 -0.843 . . . . 0.0 110.213 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -91.02 -25.79 19.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.397 -0.814 . . . . 0.0 110.219 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 p -117.93 79.44 1.36 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.323 -0.86 . . . . 0.0 110.193 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -76.62 -57.14 4.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.328 -0.858 . . . . 0.0 110.173 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -75.05 -29.0 60.61 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.242 -0.911 . . . . 0.0 109.152 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.47 -35.75 80.3 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.554 -0.858 . . . . 0.0 108.795 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -31.58 67.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 tt -75.55 -38.05 59.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.478 -0.764 . . . . 0.0 109.508 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -80.57 -53.16 6.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.526 -0.734 . . . . 0.0 110.287 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.4 mmt -55.24 -41.08 71.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.132 -0.98 . . . . 0.0 110.467 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.1 m -66.0 -45.72 80.56 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.288 -0.882 . . . . 0.0 110.37 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.3 tp -80.93 -15.14 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.198 -0.939 . . . . 0.0 110.178 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' LYS . 40.8 t -72.2 -35.3 68.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.377 -0.827 . . . . 0.0 109.704 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -88.4 -25.03 22.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.447 -0.783 . . . . 0.0 110.049 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -87.28 -29.61 21.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -88.08 -31.69 19.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.309 -0.869 . . . . 0.0 110.453 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.01 94.81 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.322 -0.861 . . . . 0.0 110.288 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.87 63.09 0.63 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 53.58 95.69 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.386 -1.067 . . . . 0.0 110.256 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.91 32.13 4.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.431 -0.793 . . . . 0.0 110.34 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -96.36 19.46 54.48 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.94 104.79 0.32 Allowed Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.258 -1.143 . . . . 0.0 110.116 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.52 110.13 2.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.523 1.275 . . . . 0.0 110.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -121.73 28.16 7.79 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 0.0 110.208 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.38 -78.67 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.553 -0.717 . . . . 0.0 110.714 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -68.67 -12.56 61.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.238 -0.913 . . . . 0.0 110.605 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.0 t -73.23 -22.94 60.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.131 -0.98 . . . . 0.0 110.534 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.411 ' HB2' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -109.21 -162.81 0.83 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.294 -0.879 . . . . 0.0 110.474 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.3 p -96.65 170.04 9.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.277 -0.889 . . . . 0.0 110.484 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.17 -36.9 76.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.405 -0.81 . . . . 0.0 109.999 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 6.0 mt-10 -71.13 -35.95 71.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 109.795 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' CB ' ' HB2' ' A' ' 87' ' ' MET . 4.9 mm-40 -56.7 -57.51 12.1 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.298 -0.876 . . . . 0.0 109.676 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -60.53 -32.92 71.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.337 -0.852 . . . . 0.0 109.055 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -65.19 -40.79 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.795 -0.566 . . . . 0.0 109.512 179.474 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.5 -23.36 67.25 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.27 -0.894 . . . . 0.0 109.733 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -86.34 -36.3 19.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.396 -0.815 . . . . 0.0 110.174 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.99 -31.79 27.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.344 -0.848 . . . . 0.0 110.377 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 27.7 mtt -81.13 -28.4 35.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.742 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -77.97 -43.13 30.6 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.899 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.6 tpp -66.48 -30.45 70.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.424 -0.797 . . . . 0.0 109.855 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 t -81.35 -20.32 40.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.417 -0.802 . . . . 0.0 110.284 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.97 60.15 2.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.277 -0.889 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -158.17 -72.18 0.09 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.237 -0.914 . . . . 0.0 110.163 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.03 37.31 0.08 OUTLIER Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -112.77 81.88 1.56 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -1.088 . . . . 0.0 110.129 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -130.57 88.73 2.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.847 . . . . 0.0 110.209 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -78.02 -51.9 9.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.325 -0.859 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.75 58.88 5.97 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -93.37 62.97 3.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.361 -1.082 . . . . 0.0 110.232 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.17 -63.59 1.43 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.365 -0.835 . . . . 0.0 110.202 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.31 -37.06 80.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.38 -0.825 . . . . 0.0 110.186 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.6 m -115.69 163.64 15.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.317 -0.864 . . . . 0.0 110.241 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.2 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.197 0.522 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -168.71 -168.82 0.93 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.337 -0.852 . . . . 0.0 110.053 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 mt -109.21 22.02 16.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.442 -0.786 . . . . 0.0 109.396 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.27 49.67 0.88 Allowed Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.69 62.72 1.08 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.316 -1.108 . . . . 0.0 110.229 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.05 77.99 0.1 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.31 -71.89 0.14 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -1.052 . . . . 0.0 110.173 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.66 -25.08 26.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -0.814 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.52 -39.76 92.18 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.332 -0.855 . . . . 0.0 110.176 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.27 79.87 3.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.347 -0.846 . . . . 0.0 110.204 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.5 78.18 8.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.346 -0.846 . . . . 0.0 110.093 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -152.45 -51.34 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.307 -0.87 . . . . 0.0 110.105 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.77 30.02 7.75 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -128.8 -38.16 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -1.11 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -129.44 142.8 46.49 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.323 -0.861 . . . . 0.0 110.134 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.43 -15.23 34.56 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 O-C-N 123.671 1.353 . . . . 0.0 110.695 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -63.45 -16.84 61.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.273 -0.892 . . . . 0.0 110.303 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.24 75.82 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.165 -0.959 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.42 120.46 0.61 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.103 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -74.76 -34.98 3.69 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 O-C-N 123.974 1.513 . . . . 0.0 110.515 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.44 -38.82 88.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.293 -0.88 . . . . 0.0 110.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -73.24 -30.23 63.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.403 -0.811 . . . . 0.0 110.06 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.64 -55.06 26.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.35 -0.844 . . . . 0.0 109.984 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.96 -34.67 78.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.338 -0.851 . . . . 0.0 110.026 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.58 76.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.356 -0.84 . . . . 0.0 110.159 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.81 -26.29 68.67 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 109.841 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -82.34 -25.23 34.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 0.0 109.786 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.8 t -77.65 -39.48 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.427 -0.796 . . . . 0.0 109.784 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -70.51 -43.13 70.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.371 -0.831 . . . . 0.0 109.877 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.45 -37.55 86.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.388 -0.82 . . . . 0.0 109.976 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -38.47 91.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.447 -0.783 . . . . 0.0 109.966 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.06 -40.78 96.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 109.985 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -38.52 88.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.274 -0.891 . . . . 0.0 110.0 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -35.33 74.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.298 -0.876 . . . . 0.0 109.813 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -59.19 -37.17 76.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.373 -0.83 . . . . 0.0 109.986 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -72.86 -37.99 67.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.41 -0.807 . . . . 0.0 109.969 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.6 mt-30 -72.22 -19.42 61.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.398 -0.814 . . . . 0.0 110.179 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -83.68 -56.04 3.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.575 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -53.97 -31.89 52.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 109.09 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.49 -35.73 22.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.637 -0.664 . . . . 0.0 109.493 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 37' ' ' GLN . . . -69.69 -55.34 10.23 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.329 -0.857 . . . . 0.0 109.932 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -59.66 -35.38 74.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.561 -0.712 . . . . 0.0 110.1 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -58.27 -48.01 81.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.373 -0.83 . . . . 0.0 110.145 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.12 -29.25 54.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.393 -0.817 . . . . 0.0 109.982 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.18 -31.08 70.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.346 -0.846 . . . . 0.0 110.093 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.64 -38.2 29.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.422 -0.799 . . . . 0.0 110.087 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.91 -29.3 68.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.205 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.41 -37.1 17.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 110.225 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.98 -24.86 67.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.37 -0.831 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.03 17.34 23.17 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.37 -30.77 12.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.298 -0.876 . . . . 0.0 110.008 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.89 18.16 1.97 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.382 -0.824 . . . . 0.0 110.274 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -111.23 -47.7 0.74 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.4 pt -148.64 -126.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -1.093 . . . . 0.0 110.001 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 67.26 -70.0 0.12 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.078 -1.014 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.0 p -66.94 79.79 0.12 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.323 -0.86 . . . . 0.0 110.195 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.6 p -141.66 -179.72 6.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.278 -0.889 . . . . 0.0 110.231 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -133.63 41.16 1.5 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.5 t -87.32 65.28 8.67 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.379 -1.071 . . . . 0.0 110.379 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -106.92 43.55 1.15 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 0.0 110.159 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -91.6 -32.97 15.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.363 -0.835 . . . . 0.0 110.171 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.2 m -117.48 86.24 2.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.357 -0.839 . . . . 0.0 110.169 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.11 -31.24 68.74 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.396 -0.815 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -76.18 -28.43 57.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.256 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.12 99.31 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.489 -0.885 . . . . 0.0 108.765 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.04 71.48 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.31 -42.25 59.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.67 -0.644 . . . . 0.0 109.833 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -52.96 8.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.439 -0.788 . . . . 0.0 110.154 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.3 ttt -49.71 -38.26 32.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.304 -0.873 . . . . 0.0 110.57 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -70.67 -42.31 70.92 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.38 -0.825 . . . . 0.0 110.546 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -83.3 -12.92 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.244 -0.91 . . . . 0.0 110.404 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -77.21 -47.45 20.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.325 -0.859 . . . . 0.0 109.845 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -78.9 -24.02 44.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.454 -0.779 . . . . 0.0 110.056 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -83.92 -48.34 10.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.334 -0.854 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -61.7 -43.33 99.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.308 -0.87 . . . . 0.0 110.166 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -96.03 87.01 4.44 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.397 -0.814 . . . . 0.0 110.166 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.21 -53.85 0.32 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.81 107.51 5.27 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.379 -1.071 . . . . 0.0 110.185 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 m -153.08 -40.28 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 110.366 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.57 -28.01 28.22 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.79 93.15 9.67 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.333 -1.098 . . . . 0.0 110.134 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -72.09 122.06 8.09 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.786 1.413 . . . . 0.0 110.357 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.94 120.59 21.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.298 -0.876 . . . . 0.0 110.167 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.2 mt -78.2 -30.05 48.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.335 -0.853 . . . . 0.0 110.144 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -27.06 67.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.358 -0.838 . . . . 0.0 110.224 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.3 t -97.76 34.99 1.76 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.38 -0.825 . . . . 0.0 110.273 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.8 mtt -124.12 136.46 54.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -0.839 . . . . 0.0 110.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.4 p -71.14 173.29 7.83 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.37 -0.832 . . . . 0.0 110.225 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -58.3 -34.41 70.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.406 -0.809 . . . . 0.0 110.249 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -80.81 -33.14 34.96 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.384 -0.823 . . . . 0.0 110.086 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.51 -62.09 1.97 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.243 -0.91 . . . . 0.0 109.908 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -60.2 -29.41 68.71 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.291 -0.88 . . . . 0.0 109.421 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -46.83 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.578 -0.701 . . . . 0.0 109.436 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.76 -37.68 71.4 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.44 -0.787 . . . . 0.0 109.625 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -82.46 -27.74 31.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.484 -0.76 . . . . 0.0 109.851 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.38 -38.44 63.16 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.449 -0.782 . . . . 0.0 110.144 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.9 mtt -80.34 -22.29 41.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.8 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -44.61 37.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.436 -0.79 . . . . 0.0 110.037 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.9 mmm -70.07 -31.9 69.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.354 -0.841 . . . . 0.0 109.993 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 m -66.47 -49.75 65.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.45 -0.782 . . . . 0.0 110.215 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.22 -19.41 61.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.406 -0.809 . . . . 0.0 110.486 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -57.67 -62.61 1.67 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.241 -0.912 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.97 137.36 3.42 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -165.04 98.34 0.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.333 -1.098 . . . . 0.0 110.18 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -119.25 71.65 0.87 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.394 -0.816 . . . . 0.0 110.201 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -140.11 105.34 5.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.3 -0.875 . . . . 0.0 110.214 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.6 39.92 0.11 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.34 103.37 3.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -1.091 . . . . 0.0 110.172 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.0 30.93 6.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.426 -0.796 . . . . 0.0 110.169 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.65 -31.53 59.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 0.0 110.113 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 p -151.99 -176.53 5.69 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.362 -0.836 . . . . 0.0 110.208 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.164 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo . . . . . 0 N--CA 1.484 0.934 0 N-CA-C 110.436 -0.64 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -61.15 -22.4 64.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.891 . . . . 0.0 110.206 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -16.68 61.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 110.343 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -157.17 116.08 1.99 Allowed Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.294 -0.879 . . . . 0.0 110.137 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.27 -45.02 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 O-C-N 123.928 1.489 . . . . 0.0 110.664 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -61.64 -51.11 69.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.299 -0.875 . . . . 0.0 110.204 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.17 -30.33 71.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.439 -0.788 . . . . 0.0 110.148 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.98 -54.19 45.14 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.364 -0.835 . . . . 0.0 110.106 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 mm? -63.33 -37.48 87.41 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.331 -0.856 . . . . 0.0 110.048 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.4 75.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.402 -0.811 . . . . 0.0 110.029 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -24.88 58.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.441 -0.787 . . . . 0.0 110.202 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.29 -31.23 23.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 0.0 109.463 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 24' ' ' LEU . 60.0 t -80.64 -28.29 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.619 -0.675 . . . . 0.0 109.817 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.7 m -77.75 -46.35 21.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.451 -0.781 . . . . 0.0 110.032 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -40.84 97.99 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.367 -0.833 . . . . 0.0 109.949 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -69.29 -32.35 71.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.406 -0.809 . . . . 0.0 110.043 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.88 -50.97 60.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.382 -0.824 . . . . 0.0 110.076 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -35.55 75.77 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.325 -0.859 . . . . 0.0 110.069 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -46.26 91.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.344 -0.848 . . . . 0.0 110.049 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -59.38 -35.05 73.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.352 -0.843 . . . . 0.0 109.982 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.35 -45.67 65.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.41 -0.806 . . . . 0.0 109.925 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.679 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.0 tt0 -71.58 -23.15 61.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.445 -0.785 . . . . 0.0 110.109 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -83.69 -57.35 3.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.393 -0.817 . . . . 0.0 109.738 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.61 -32.59 42.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.464 -0.773 . . . . 0.0 109.315 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -32.71 23.63 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -66.17 -52.19 50.59 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.857 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 15.4 ptt180 -66.31 -31.64 72.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.339 -0.851 . . . . 0.0 109.825 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 1.1 ttp180 -54.47 -49.24 70.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.319 -0.863 . . . . 0.0 109.195 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.05 -23.76 64.09 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.866 -0.734 . . . . 0.0 109.218 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -69.8 -34.26 73.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.535 -0.728 . . . . 0.0 109.991 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.08 -39.48 12.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.393 -0.817 . . . . 0.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -32.82 74.07 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.39 -0.819 . . . . 0.0 110.139 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 t -89.42 -31.85 17.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.347 -0.846 . . . . 0.0 110.15 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 45' ' ' ALA . . . -64.62 -39.56 93.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.355 -0.841 . . . . 0.0 110.108 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.54 -25.65 12.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.318 -0.864 . . . . 0.0 110.316 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 52.39 79.07 0.12 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.333 -0.854 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 52.18 27.12 4.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.395 -0.816 . . . . 0.0 110.487 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.234 0.54 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -76.09 -31.02 58.51 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.236 -0.915 . . . . 0.0 109.095 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.05 97.95 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.759 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.59 -30.63 71.72 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -37.94 60.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.6 -0.688 . . . . 0.0 109.632 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -79.19 -57.39 3.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.413 -0.804 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -37.26 50.32 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.223 -0.923 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.0 m -68.4 -44.17 75.64 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.367 -0.833 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.1 tp -82.03 -15.38 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.234 -0.916 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.7 p -71.96 -41.97 67.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.37 -0.831 . . . . 0.0 109.676 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -29.21 33.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.469 -0.769 . . . . 0.0 109.918 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.437 -0.789 . . . . 0.0 110.149 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.136 0.493 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.5 p -59.75 -25.53 64.93 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.376 -0.828 . . . . 0.0 110.417 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -96.18 41.15 1.11 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.303 -0.873 . . . . 0.0 110.286 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.495 ' HE3' ' HG2' ' A' ' 92' ' ' GLN . 26.7 mtm -150.67 138.17 19.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.319 -0.863 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.7 p -62.1 175.41 0.71 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.15 -33.37 72.08 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.343 -0.848 . . . . 0.0 110.206 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 5.4 mp0 -81.51 -34.73 31.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.29 -0.881 . . . . 0.0 109.997 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.85 -58.9 5.92 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.344 -0.847 . . . . 0.0 109.866 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.495 ' HG2' ' HE3' ' A' ' 87' ' ' MET . 62.3 mt-30 -62.01 -30.96 71.31 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.376 -0.827 . . . . 0.0 109.301 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -66.69 -40.08 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.501 -0.749 . . . . 0.0 109.586 179.678 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.27 91.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.436 -0.79 . . . . 0.0 109.624 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -65.87 -39.59 90.85 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.451 -0.78 . . . . 0.0 109.978 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.11 78.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.467 -0.771 . . . . 0.0 110.255 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.43 -27.9 41.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.0 109.577 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -63.34 -34.75 78.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.452 -0.78 . . . . 0.0 109.74 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -28.43 30.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.494 -0.754 . . . . 0.0 110.024 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.7 m -95.06 11.08 33.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.57 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.223 -0.923 . . . . 0.0 110.105 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.697 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 37.0 Cg_endo . . . . . 0 N--CA 1.483 0.882 0 CA-C-O 121.773 0.655 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.7 t 70.28 47.3 0.55 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 44.64 27.27 0.24 Allowed 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.798 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.44 119.06 0.58 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.26 -0.9 . . . . 0.0 110.265 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -73.49 -36.23 4.11 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 O-C-N 123.949 1.499 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -63.42 -49.52 73.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.389 -0.819 . . . . 0.0 110.172 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -29.26 66.53 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.263 -0.898 . . . . 0.0 110.058 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.697 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . . . -66.08 -44.5 84.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.372 -0.83 . . . . 0.0 110.065 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -73.39 -38.6 65.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.325 -0.859 . . . . 0.0 110.138 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.73 91.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.329 -0.857 . . . . 0.0 110.134 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.09 -21.43 62.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.267 -0.895 . . . . 0.0 110.214 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -79.19 -27.72 42.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -0.896 . . . . 0.0 109.165 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 24' ' ' LEU . 65.1 t -79.18 -27.81 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.6 -0.688 . . . . 0.0 109.679 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 t -76.25 -47.91 22.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.407 -0.808 . . . . 0.0 110.021 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.6 tpt -61.99 -40.57 96.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 110.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -63.22 -37.72 88.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.428 -0.795 . . . . 0.0 110.053 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.87 -37.14 85.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.323 -0.861 . . . . 0.0 110.052 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.86 -41.47 74.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.805 . . . . 0.0 110.085 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -47.0 88.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.388 -0.82 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -60.06 -40.63 90.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.396 -0.815 . . . . 0.0 110.142 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -70.48 -43.95 68.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.412 -0.805 . . . . 0.0 109.989 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 15.1 mm100 -73.95 -18.14 60.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.385 -0.822 . . . . 0.0 110.19 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.4 -59.23 2.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.43 -0.794 . . . . 0.0 109.698 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -53.17 -31.27 41.8 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.438 -0.789 . . . . 0.0 109.337 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -84.26 -35.2 23.55 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.58 -0.7 . . . . 0.0 109.695 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -73.37 -55.0 6.96 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.214 -0.929 . . . . 0.0 110.008 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -58.35 -47.2 84.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.443 -0.786 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -46.37 70.63 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.287 -0.883 . . . . 0.0 110.08 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.53 -24.7 63.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.464 -0.772 . . . . 0.0 109.854 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.2 -34.08 49.65 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 110.07 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.84 -39.25 64.14 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.366 -0.834 . . . . 0.0 110.155 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.51 -41.62 75.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -71.62 -17.97 62.24 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.28 -0.887 . . . . 0.0 110.433 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.53 -31.23 29.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.251 -0.905 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.81 -18.89 14.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.337 -0.852 . . . . 0.0 110.504 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -99.8 -57.36 2.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.201 -0.937 . . . . 0.0 110.176 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.04 4.99 45.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.383 -0.823 . . . . 0.0 110.594 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 121.081 0.467 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -72.21 -29.56 64.07 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.078 -1.013 . . . . 0.0 109.223 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.62 85.15 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 119.505 -0.878 . . . . 0.0 108.902 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.77 -29.7 69.57 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tt -77.6 -34.93 53.33 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.506 -0.746 . . . . 0.0 109.766 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.6 -56.86 3.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -0.782 . . . . 0.0 110.733 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -41.05 69.89 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.138 -0.976 . . . . 0.0 110.725 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.6 m -68.64 -41.09 79.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.197 -0.94 . . . . 0.0 110.686 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' A' ' 71' ' ' ILE . 5.9 tp -82.1 -18.37 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.133 -0.98 . . . . 0.0 110.061 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.0 m -71.95 -37.5 69.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.302 -0.874 . . . . 0.0 109.883 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.94 -28.32 27.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.43 -0.794 . . . . 0.0 110.206 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.288 -0.882 . . . . 0.0 110.381 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.199 0.524 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.7 t -56.21 -26.62 51.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.264 -0.897 . . . . 0.0 110.382 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.5 t -94.06 43.94 1.11 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.859 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.442 ' CG ' ' HB3' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -147.28 126.0 12.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.87 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.424 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 71.5 p -60.45 -177.93 0.08 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.365 -0.834 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.41 -33.28 73.43 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.408 -0.808 . . . . 0.0 110.263 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 8.1 mt-10 -82.82 -33.41 27.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.399 -0.813 . . . . 0.0 110.022 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.442 ' HB3' ' CG ' ' A' ' 87' ' ' MET . 44.4 mm-40 -56.8 -62.02 2.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.257 -0.902 . . . . 0.0 109.807 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -57.44 -31.48 65.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.337 -0.852 . . . . 0.0 109.12 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.449 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.9 OUTLIER -67.25 -38.17 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.09 -34.66 72.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.402 -0.811 . . . . 0.0 109.481 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.9 -46.73 17.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.506 -0.746 . . . . 0.0 109.863 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.65 92.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.465 -0.772 . . . . 0.0 110.224 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.2 mmt -76.53 -23.98 53.67 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.298 -0.876 . . . . 0.0 109.658 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -47.88 81.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 109.923 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.1 mmm -73.21 -29.89 63.13 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.454 -0.779 . . . . 0.0 110.029 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -12.3 61.14 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.485 -0.76 . . . . 0.0 110.435 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.2 -0.938 . . . . 0.0 110.292 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo . . . . . 0 N--CA 1.485 0.973 0 N-CA-C 110.527 -0.605 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -21.75 66.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.309 -0.87 . . . . 0.0 110.222 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.5 67.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.238 -0.914 . . . . 0.0 110.338 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.72 119.83 0.65 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 0.0 110.239 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -75.55 -38.62 1.3 Allowed 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.982 1.517 . . . . 0.0 110.373 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.32 -48.06 83.05 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.29 -0.881 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.39 -30.64 71.35 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.321 -0.862 . . . . 0.0 110.153 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.81 95.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -0.807 . . . . 0.0 110.237 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 28' ' ' VAL . 7.7 mt -72.05 -41.53 67.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.326 -0.859 . . . . 0.0 110.251 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.25 92.69 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.284 -0.885 . . . . 0.0 109.963 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -72.97 -21.52 60.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.49 -0.756 . . . . 0.0 110.144 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -83.74 -26.68 29.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.335 -0.853 . . . . 0.0 109.805 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 24' ' ' LEU . 57.9 t -77.73 -35.19 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.468 -0.77 . . . . 0.0 109.899 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -77.44 -35.54 53.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.39 -0.819 . . . . 0.0 110.021 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 ttt -68.76 -38.51 80.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 109.949 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.74 -36.83 76.16 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.397 -0.814 . . . . 0.0 109.989 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.94 -50.99 60.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.059 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -35.38 70.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.368 -0.832 . . . . 0.0 110.037 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -46.92 80.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.415 -0.803 . . . . 0.0 110.064 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.92 -51.12 62.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.342 -0.849 . . . . 0.0 110.274 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -50.01 34.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.44 -0.788 . . . . 0.0 110.027 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 8.2 tp-100 -58.35 -23.65 57.46 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.331 -0.855 . . . . 0.0 110.068 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 42.6 tt0 -73.28 -64.06 1.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.409 -0.807 . . . . 0.0 109.058 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.45 -29.76 11.06 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.409 -0.807 . . . . 0.0 109.117 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -26.76 26.22 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.662 -0.649 . . . . 0.0 109.65 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -85.72 -20.44 29.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.259 -0.901 . . . . 0.0 109.277 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' A' ' 38' ' ' GLU . 5.6 mpt_? -82.35 -38.11 24.68 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.666 -0.646 . . . . 0.0 109.583 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 43' ' ' ARG . 4.3 tpp180 -75.07 -35.21 61.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.5 -0.75 . . . . 0.0 109.683 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.98 74.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.433 -0.792 . . . . 0.0 109.947 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.44 -35.14 54.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.425 -0.797 . . . . 0.0 110.065 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -51.08 64.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.49 -0.756 . . . . 0.0 110.176 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.92 -28.62 69.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.838 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.7 t -75.18 -42.36 55.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.386 -0.821 . . . . 0.0 110.206 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.13 70.24 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.399 -0.813 . . . . 0.0 110.247 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.66 -11.53 59.87 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.402 -0.811 . . . . 0.0 110.556 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -92.09 -58.13 2.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.266 -0.896 . . . . 0.0 110.184 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.45 -12.27 22.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.36 -0.837 . . . . 0.0 110.529 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.833 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.292 0.568 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.41 -29.12 56.93 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.197 -0.939 . . . . 0.0 109.305 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.64 84.99 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.742 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.66 -30.74 67.43 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.614 ' O ' HD23 ' A' ' 67' ' ' LEU . 3.4 tt -76.12 -38.26 57.08 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.588 -0.695 . . . . 0.0 109.737 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.6 mptt -83.45 -55.05 4.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.435 -0.791 . . . . 0.0 110.501 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -42.8 67.1 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.232 -0.917 . . . . 0.0 110.633 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.0 m -67.95 -42.21 81.29 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.367 -0.833 . . . . 0.0 110.563 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 tp -84.15 -8.4 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.243 -0.91 . . . . 0.0 110.493 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . 48.3 t -80.47 -49.17 11.77 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.884 . . . . 0.0 109.909 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -81.64 -21.64 38.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.388 -0.82 . . . . 0.0 110.15 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 0.0 110.371 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.4 mt . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.269 0.557 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.5 p -66.92 -29.41 69.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.341 -0.849 . . . . 0.0 110.345 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 t -100.36 35.69 2.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.375 -0.828 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 13.0 mtt -120.35 130.61 54.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.318 -0.864 . . . . 0.0 110.185 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.8 p -72.22 174.99 6.46 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.36 -0.837 . . . . 0.0 110.099 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.94 -27.61 63.55 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.453 -0.78 . . . . 0.0 110.182 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.432 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 2.3 mp0 -84.55 -36.12 22.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.279 -0.888 . . . . 0.0 110.027 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -62.34 1.74 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.29 -0.881 . . . . 0.0 109.852 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -59.18 -29.66 67.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 109.348 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -65.42 -47.01 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.572 -0.705 . . . . 0.0 109.368 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.437 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -58.5 -24.61 60.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.317 -0.865 . . . . 0.0 109.64 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.7 -45.15 19.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.456 -0.777 . . . . 0.0 110.045 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.7 -29.59 59.02 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.489 -0.757 . . . . 0.0 110.375 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.583 ' O ' HD12 ' A' ' 101' ' ' LEU . 3.6 ttm -79.57 -24.04 42.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.261 -0.899 . . . . 0.0 109.702 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -80.01 -28.8 39.38 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.499 -0.751 . . . . 0.0 110.067 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.6 mtt -85.27 -21.39 29.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.385 -0.822 . . . . 0.0 110.435 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.6 p -90.46 -27.84 18.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -0.904 . . . . 0.0 110.467 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 97' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.287 -0.883 . . . . 0.0 110.461 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 N--CA 1.485 1.029 0 N-CA-C 110.727 -0.528 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -63.13 -17.18 62.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.296 -0.877 . . . . 0.0 110.295 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.04 -11.01 60.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.259 -0.9 . . . . 0.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -153.16 113.44 2.68 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 0.0 110.124 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -73.86 -38.07 2.52 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 O-C-N 124.004 1.528 . . . . 0.0 110.378 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.93 -46.27 75.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.391 -0.818 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 22' ' ' LEU . 10.1 mp -69.08 -29.39 67.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.402 -0.811 . . . . 0.0 109.978 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.88 97.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.469 -0.769 . . . . 0.0 110.083 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -68.48 -39.84 81.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 109.999 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -34.98 79.73 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.397 -0.814 . . . . 0.0 109.957 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -71.23 -24.12 62.13 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.334 -0.854 . . . . 0.0 110.2 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -85.22 -30.66 23.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.0 109.492 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 24' ' ' LEU . 94.8 t -75.92 -33.86 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.571 -0.706 . . . . 0.0 109.752 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -41.04 56.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.427 -0.796 . . . . 0.0 109.902 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.6 ttt -65.41 -35.26 80.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 0.0 109.794 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -33.95 62.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.813 . . . . 0.0 110.057 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -49.1 76.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.349 -0.844 . . . . 0.0 109.923 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.82 -35.75 80.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.426 -0.796 . . . . 0.0 109.86 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -67.74 -40.26 84.17 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.479 -0.763 . . . . 0.0 110.055 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.04 -40.37 93.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.404 -0.81 . . . . 0.0 110.059 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -71.19 -39.75 71.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.498 -0.751 . . . . 0.0 109.982 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.66 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -73.35 -26.06 60.86 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.342 -0.849 . . . . 0.0 109.992 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -83.87 -58.08 2.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.429 -0.794 . . . . 0.0 109.416 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -32.71 29.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.56 -0.712 . . . . 0.0 109.266 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -84.64 -33.88 23.18 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.21 -52.61 58.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.422 -0.799 . . . . 0.0 109.59 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 28.2 ptt180 -65.38 -30.82 71.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.391 -0.818 . . . . 0.0 109.497 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -44.38 69.28 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.429 -0.794 . . . . 0.0 109.234 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.83 -23.78 58.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.579 -0.701 . . . . 0.0 109.368 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.547 ' O ' ' HB2' ' A' ' 49' ' ' ALA . . . -70.1 -33.99 72.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.456 -0.777 . . . . 0.0 110.016 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.48 -44.2 16.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.307 -0.871 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.71 78.7 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.424 -0.797 . . . . 0.0 110.091 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -84.4 -29.43 26.19 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.274 -0.891 . . . . 0.0 110.129 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 45' ' ' ALA . . . -61.37 -34.75 75.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -0.832 . . . . 0.0 110.222 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.43 -24.73 39.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.361 -0.837 . . . . 0.0 110.238 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -97.01 -67.94 0.82 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.401 -0.812 . . . . 0.0 110.315 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.4 29.86 3.44 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.405 -0.809 . . . . 0.0 110.333 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 -179.815 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.21 0.529 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -76.17 -28.95 57.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 0.0 109.323 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.91 -43.82 98.06 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.953 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -30.01 70.5 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.75 -0.834 . . . . 0.0 108.75 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.473 HD23 ' HD3' ' A' ' 68' ' ' LYS . 8.0 tt -73.37 -44.63 58.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.528 -0.733 . . . . 0.0 109.78 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.473 ' HD3' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -79.96 -56.59 4.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.47 -0.769 . . . . 0.0 110.235 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.7 ttt -48.54 -39.72 24.47 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.342 -0.849 . . . . 0.0 110.778 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.2 m -70.6 -40.58 73.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.378 -0.826 . . . . 0.0 110.463 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.2 tp -81.5 -16.46 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.052 -1.03 . . . . 0.0 110.053 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -73.88 -39.05 64.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.286 -0.884 . . . . 0.0 109.553 179.401 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -82.13 -23.13 35.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.55 -0.718 . . . . 0.0 110.112 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.307 -0.871 . . . . 0.0 110.174 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.149 0.499 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.3 p -60.72 -26.37 67.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.364 -0.835 . . . . 0.0 110.261 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 m -106.15 37.43 2.28 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.324 -0.86 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 18.6 mtt -112.61 137.24 51.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.421 -0.799 . . . . 0.0 110.135 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.6 p -75.89 171.57 14.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.444 -0.785 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.21 -29.84 64.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.395 -0.816 . . . . 0.0 110.282 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 19.4 mt-10 -83.53 -34.83 25.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.341 -0.849 . . . . 0.0 109.884 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.86 -62.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.382 -0.824 . . . . 0.0 109.859 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.54 -29.85 69.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.415 -0.803 . . . . 0.0 109.516 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.44 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -66.85 -40.74 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.596 -0.69 . . . . 0.0 109.463 179.47 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.15 -29.67 70.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.435 -0.791 . . . . 0.0 109.632 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -84.73 -40.87 16.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.448 -0.782 . . . . 0.0 109.95 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.32 -29.03 61.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.356 -0.84 . . . . 0.0 110.136 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.6 tpt -82.61 -26.49 32.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.326 -0.859 . . . . 0.0 109.778 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.15 -41.39 67.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.379 -0.826 . . . . 0.0 110.005 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.4 tpp -75.19 -27.59 59.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.365 -0.834 . . . . 0.0 110.169 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.9 t -71.57 -27.39 63.12 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.4 -0.812 . . . . 0.0 110.284 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 110.197 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 N--CA 1.486 1.053 0 N-CA-C 110.657 -0.555 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -16.6 58.91 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.242 -0.911 . . . . 0.0 110.387 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.64 -29.33 64.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.245 -0.91 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.17 118.66 0.74 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.0 110.032 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.85 -29.22 12.63 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 123.973 1.512 . . . . 0.0 110.415 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -43.23 93.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.329 -0.857 . . . . 0.0 109.887 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.66 -27.94 64.41 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.39 -0.819 . . . . 0.0 109.982 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.92 -52.86 61.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.416 -0.803 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.79 -38.06 85.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 110.165 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.503 ' O ' HG12 ' A' ' 28' ' ' VAL . . . -52.5 -39.34 61.15 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.302 -0.874 . . . . 0.0 110.463 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' A' ' 26' ' ' LEU . 28.4 tp -80.71 -21.32 41.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.164 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.6 -32.69 31.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 0.0 109.157 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 25' ' ' ALA . 14.2 p -77.51 -25.42 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.602 -0.686 . . . . 0.0 109.852 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -48.85 13.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.485 -0.759 . . . . 0.0 110.049 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -28.48 69.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.46 -0.775 . . . . 0.0 110.176 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -75.94 -41.5 51.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.326 -0.859 . . . . 0.0 110.397 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.31 -53.31 59.22 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.248 -0.907 . . . . 0.0 110.337 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.96 -30.2 68.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.363 -0.836 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -51.43 62.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.118 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -56.95 -33.77 67.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.433 -0.792 . . . . 0.0 110.229 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -57.23 8.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.0 110.036 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.647 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 9.2 tt0 -72.65 -17.37 61.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.398 -0.814 . . . . 0.0 110.282 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -83.92 -59.91 2.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.333 -0.854 . . . . 0.0 109.634 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -50.91 -31.65 18.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.439 -0.788 . . . . 0.0 109.349 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -84.27 -35.33 23.45 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -65.8 -55.35 17.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.468 -0.77 . . . . 0.0 109.71 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 27.5 ptt180 -63.44 -31.97 73.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.815 . . . . 0.0 109.677 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -47.32 70.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.419 -0.801 . . . . 0.0 109.284 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.51 58.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.487 -0.758 . . . . 0.0 109.235 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -63.8 -32.45 73.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.503 -0.748 . . . . 0.0 110.013 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.82 -27.43 22.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.44 -0.787 . . . . 0.0 110.168 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.49 -21.59 55.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.39 -0.819 . . . . 0.0 110.288 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.6 -33.39 8.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.285 -0.884 . . . . 0.0 110.359 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.93 69.23 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.408 -0.808 . . . . 0.0 110.344 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.08 27.34 5.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.303 -0.873 . . . . 0.0 110.209 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -153.85 -47.3 0.09 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.355 -0.84 . . . . 0.0 110.13 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.92 17.86 22.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.328 -0.858 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.233 0.54 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -76.62 -30.09 56.76 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.144 -0.972 . . . . 0.0 109.356 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.53 96.61 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.515 -0.874 . . . . 0.0 108.868 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.6 -28.65 69.77 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' C ' HD23 ' A' ' 67' ' ' LEU . 10.1 tt -76.38 -41.04 49.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.591 -0.693 . . . . 0.0 109.981 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -53.85 5.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.522 -0.736 . . . . 0.0 110.586 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.2 mtt -53.57 -41.36 66.43 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.119 -0.988 . . . . 0.0 110.597 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.8 m -69.95 -37.84 75.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.264 -0.898 . . . . 0.0 110.699 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 tp -84.2 -17.59 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.063 -1.023 . . . . 0.0 110.209 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -37.49 64.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.732 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -89.15 -23.15 22.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.449 -0.782 . . . . 0.0 110.169 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.836 . . . . 0.0 110.308 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.119 0.485 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.7 m -59.81 -29.82 68.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.302 -0.874 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -97.94 28.94 3.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.38 -0.825 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.9 mtt -122.41 141.67 51.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.44 -0.787 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.409 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 61.9 p -76.73 177.72 7.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -0.861 . . . . 0.0 110.18 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.84 -33.33 71.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.383 -0.823 . . . . 0.0 110.24 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 7.4 mp0 -80.92 -34.67 33.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.029 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.409 ' HB2' ' N ' ' A' ' 88' ' ' THR . 2.3 mm-40 -55.22 -61.94 1.99 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.325 -0.859 . . . . 0.0 109.899 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -60.16 -29.34 68.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.366 -0.834 . . . . 0.0 109.528 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.5 OUTLIER -67.93 -39.7 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.524 -0.735 . . . . 0.0 109.551 179.636 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.67 -28.26 69.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.322 -0.861 . . . . 0.0 109.737 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -85.03 -34.25 22.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.463 -0.773 . . . . 0.0 110.138 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.27 -30.47 30.63 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.413 -0.804 . . . . 0.0 110.466 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.4 ttt -83.7 -33.4 25.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.237 -0.915 . . . . 0.0 109.634 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -70.63 -39.98 73.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.507 -0.745 . . . . 0.0 109.887 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.2 mtp -77.29 -22.88 51.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.447 -0.783 . . . . 0.0 110.159 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.4 t -70.72 -41.44 71.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.321 -0.862 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.298 -0.876 . . . . 0.0 110.591 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.796 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 37.0 Cg_endo . . . . . 0 N--CA 1.484 0.92 0 CA-C-O 121.714 0.631 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER 69.67 47.31 0.65 Allowed 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 -179.393 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 43.18 29.68 0.23 Allowed 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.768 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.18 117.77 0.92 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.284 -0.885 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -75.08 -36.56 2.43 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 O-C-N 124.007 1.53 . . . . 0.0 110.299 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.46 -39.73 84.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.465 -0.772 . . . . 0.0 110.116 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -33.11 72.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.375 -0.828 . . . . 0.0 109.869 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.796 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . . . -61.87 -48.01 82.45 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.406 -0.809 . . . . 0.0 110.133 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.9 mm? -67.74 -28.53 67.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.378 -0.826 . . . . 0.0 110.132 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.72 84.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.337 -0.852 . . . . 0.0 110.191 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -72.36 -21.56 61.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.3 -0.875 . . . . 0.0 110.279 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -29.88 35.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.895 . . . . 0.0 109.305 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 24' ' ' LEU . 64.1 t -81.5 -27.18 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.561 -0.712 . . . . 0.0 109.839 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.3 m -76.63 -36.87 57.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.535 -0.728 . . . . 0.0 110.099 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.1 ttp -76.0 -28.14 57.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.22 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -33.97 51.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.355 -0.84 . . . . 0.0 110.063 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.87 -43.34 68.61 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.359 -0.838 . . . . 0.0 110.106 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -67.62 -28.33 67.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.521 -0.737 . . . . 0.0 110.053 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -47.94 18.5 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.206 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -59.8 -45.3 92.77 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 0.0 110.108 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -64.74 -46.44 82.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.839 . . . . 0.0 109.999 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.7 mm100 -72.8 -22.12 60.87 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 110.171 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -83.93 -63.02 1.42 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.485 -0.759 . . . . 0.0 109.601 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.79 -31.08 25.61 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.263 -0.898 . . . . 0.0 109.344 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -81.45 -38.59 26.17 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.622 -0.674 . . . . 0.0 109.4 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -73.29 -56.67 4.77 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.35 -0.844 . . . . 0.0 109.894 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -51.94 -41.29 61.92 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.478 -0.764 . . . . 0.0 110.269 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -60.65 -42.48 97.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.45 -0.781 . . . . 0.0 110.048 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.35 -32.06 73.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.44 -0.787 . . . . 0.0 109.97 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.4 -36.79 53.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -0.793 . . . . 0.0 110.133 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.9 95.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.347 -0.845 . . . . 0.0 110.151 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.02 -28.23 63.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -0.862 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 t -64.41 -62.86 1.34 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.367 -0.833 . . . . 0.0 110.154 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.22 68.77 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.415 -0.803 . . . . 0.0 110.182 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.21 -23.9 57.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.363 -0.836 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.78 -30.29 62.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.317 -0.864 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.15 33.76 3.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.263 -0.898 . . . . 0.0 110.286 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 t0 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.212 0.53 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.04 -31.88 50.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.18 -0.95 . . . . 0.0 109.367 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.49 83.15 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.496 -0.881 . . . . 0.0 108.706 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 tp -70.17 -30.48 67.63 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 67' ' ' LEU . 4.0 tt -76.75 -35.44 57.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.581 -0.699 . . . . 0.0 109.706 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HA ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -84.39 -55.33 4.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.45 -0.781 . . . . 0.0 110.408 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.0 tpt -53.73 -44.67 70.07 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.196 -0.94 . . . . 0.0 110.498 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.1 m -66.72 -42.79 85.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.298 -0.876 . . . . 0.0 110.511 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 68' ' ' LYS . 5.5 tp -82.95 -8.48 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.187 -0.946 . . . . 0.0 110.433 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' LYS . 26.1 t -81.21 -37.82 28.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.29 -0.881 . . . . 0.0 109.842 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -89.04 -21.94 23.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.494 -0.754 . . . . 0.0 110.307 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.276 -0.89 . . . . 0.0 110.365 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.505 HD23 ' HE3' ' A' ' 87' ' ' MET . 17.4 mt . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.285 0.564 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.1 p -60.92 -30.97 70.52 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.267 -0.895 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.1 m -97.23 33.68 1.92 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.391 -0.818 . . . . 0.0 110.114 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.505 ' HE3' HD23 ' A' ' 84' ' ' LEU . 6.7 mtm -129.74 121.25 26.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.834 . . . . 0.0 110.248 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.7 p -66.55 -178.42 0.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.41 -0.806 . . . . 0.0 110.284 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.68 -35.46 76.33 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.38 -0.825 . . . . 0.0 110.197 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 17.7 mt-10 -80.12 -32.65 39.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 110.041 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.04 -61.97 2.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.263 -0.898 . . . . 0.0 109.774 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.405 ' OE1' HD22 ' A' ' 84' ' ' LEU . 31.8 mt-30 -59.7 -25.43 64.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.374 -0.829 . . . . 0.0 109.603 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.6 OUTLIER -71.77 -44.83 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.426 -0.796 . . . . 0.0 109.626 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.41 69.99 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.284 -0.885 . . . . 0.0 109.559 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -82.41 -50.48 8.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.528 -0.733 . . . . 0.0 109.829 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.51 73.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.483 -0.76 . . . . 0.0 109.964 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.493 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.1 ttm -77.26 -25.61 51.66 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.321 -0.862 . . . . 0.0 109.548 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -43.66 98.36 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.506 -0.747 . . . . 0.0 110.017 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.8 mtt -76.52 -34.58 58.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.437 -0.789 . . . . 0.0 110.13 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -23.92 67.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.381 -0.824 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 97' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 N--CA 1.484 0.947 0 N-CA-C 110.74 -0.523 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -13.09 61.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.295 -0.878 . . . . 0.0 110.508 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.5 -8.06 57.2 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.191 -0.943 . . . . 0.0 110.598 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.27 122.37 0.67 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 110.009 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -76.32 -36.36 1.84 Allowed 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.968 1.509 . . . . 0.0 110.457 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.99 -35.03 77.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.352 -0.842 . . . . 0.0 109.996 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -31.49 59.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.816 . . . . 0.0 110.098 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.79 -29.53 64.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.319 -0.863 . . . . 0.0 109.942 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 28' ' ' VAL . 31.3 tp -76.05 -39.92 54.48 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.429 -0.794 . . . . 0.0 109.956 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.45 77.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.418 -0.801 . . . . 0.0 110.125 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -22.6 39.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.346 -0.846 . . . . 0.0 110.173 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -86.6 -26.87 24.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.275 -0.89 . . . . 0.0 109.775 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 24' ' ' LEU . 88.8 t -81.66 -29.63 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.449 -0.782 . . . . 0.0 109.97 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.2 m -81.67 -45.21 16.06 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.438 -0.789 . . . . 0.0 110.144 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.0 tpt -68.22 -41.23 81.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.486 -0.759 . . . . 0.0 110.163 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -66.14 -36.42 83.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.397 -0.814 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.12 -39.93 95.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.354 -0.842 . . . . 0.0 110.238 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.79 -39.99 87.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.33 -0.856 . . . . 0.0 110.269 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -37.34 81.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.395 -0.816 . . . . 0.0 110.202 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.53 -45.9 92.13 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.378 -0.826 . . . . 0.0 110.228 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -69.86 -34.3 73.42 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.273 -0.892 . . . . 0.0 110.202 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.692 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -78.58 -28.17 45.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.843 . . . . 0.0 110.165 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -83.99 -58.71 2.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.484 -0.76 . . . . 0.0 109.663 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -52.54 -31.77 37.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.474 -0.766 . . . . 0.0 109.439 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -84.55 -34.07 23.33 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.84 -53.78 41.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.468 -0.77 . . . . 0.0 109.662 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.522 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.5 ptt180 -65.97 -31.15 71.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.365 -0.834 . . . . 0.0 109.662 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -46.3 70.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.44 -0.787 . . . . 0.0 109.452 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.02 61.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.557 -0.715 . . . . 0.0 109.441 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -64.18 -32.35 73.9 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.478 -0.764 . . . . 0.0 110.048 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.62 -37.73 20.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.367 -0.833 . . . . 0.0 110.21 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.03 -29.16 68.89 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.382 -0.824 . . . . 0.0 110.227 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.07 -27.5 23.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 110.188 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.58 -29.05 51.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.192 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.55 -1.18 40.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.322 -0.861 . . . . 0.0 110.547 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.71 -31.83 69.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.187 -0.945 . . . . 0.0 110.182 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.1 -15.39 8.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.388 -0.82 . . . . 0.0 110.706 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t70 . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 121.124 0.488 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -78.53 -33.73 47.73 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.277 -0.889 . . . . 0.0 109.112 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.35 81.96 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.518 -0.873 . . . . 0.0 108.719 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.14 -30.46 68.71 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.23 -37.73 57.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.545 -0.722 . . . . 0.0 109.465 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -79.39 -54.84 5.54 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.561 -0.712 . . . . 0.0 110.358 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 37.7 mtm -52.15 -40.3 61.19 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.182 -0.949 . . . . 0.0 110.628 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.8 m -67.67 -42.03 82.81 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.342 -0.848 . . . . 0.0 110.545 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 tp -85.21 -13.11 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.18 -0.95 . . . . 0.0 110.418 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.4 t -76.43 -36.74 57.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.205 -0.934 . . . . 0.0 109.759 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -89.99 -25.72 20.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.451 -0.781 . . . . 0.0 110.053 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.434 -0.791 . . . . 0.0 110.194 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.182 0.515 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 p -61.39 -32.43 72.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.328 -0.857 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.6 p -98.9 27.42 4.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.366 -0.834 . . . . 0.0 110.21 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 mtt -115.5 125.23 52.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.366 -0.834 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.412 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 69.0 p -67.39 179.31 1.3 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.428 -0.795 . . . . 0.0 110.187 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -60.08 -36.08 76.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.392 -0.817 . . . . 0.0 110.243 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 16.5 mt-10 -79.04 -33.34 44.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.868 . . . . 0.0 110.119 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.412 ' HB2' ' N ' ' A' ' 88' ' ' THR . 2.1 mm-40 -56.64 -61.51 2.37 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.304 -0.873 . . . . 0.0 110.001 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.7 -22.9 65.74 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.424 -0.798 . . . . 0.0 109.811 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.5 OUTLIER -74.03 -45.17 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.442 -0.786 . . . . 0.0 109.83 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.01 -31.33 70.95 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.25 -0.906 . . . . 0.0 109.758 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.4 -49.73 7.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -0.759 . . . . 0.0 110.019 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.6 77.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.437 -0.789 . . . . 0.0 110.013 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.9 ttp -81.02 -25.39 37.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.354 -0.841 . . . . 0.0 109.785 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.77 -42.18 97.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.514 -0.741 . . . . 0.0 109.979 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 36.8 mtt -82.8 -27.5 30.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.388 -0.82 . . . . 0.0 110.233 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 t -73.31 -21.2 60.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.258 -0.901 . . . . 0.0 110.515 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.269 -0.895 . . . . 0.0 110.269 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo . . . . . 0 N--CA 1.483 0.909 0 N-CA-C 110.388 -0.659 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -66.53 -23.76 66.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.151 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.31 -19.65 56.07 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.29 -0.881 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.6 119.88 0.73 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.307 -0.871 . . . . 0.0 109.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.37 -38.35 2.67 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 O-C-N 123.943 1.496 . . . . 0.0 110.407 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -39.54 92.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.355 -0.84 . . . . 0.0 109.961 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.04 -31.95 72.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.396 -0.815 . . . . 0.0 110.041 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.26 -51.5 56.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.331 -0.856 . . . . 0.0 110.185 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -39.24 84.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.87 . . . . 0.0 110.115 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.39 71.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.341 -0.849 . . . . 0.0 110.091 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -72.4 -23.59 61.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.359 -0.838 . . . . 0.0 110.221 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -80.45 -28.76 37.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.851 . . . . 0.0 109.167 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.9 t -77.67 -29.84 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.619 -0.676 . . . . 0.0 109.64 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.414 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 5.9 m -76.61 -35.68 57.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.485 -0.759 . . . . 0.0 110.125 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -43.05 74.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.352 -0.843 . . . . 0.0 109.954 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -39.4 94.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.364 -0.835 . . . . 0.0 110.002 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -42.85 99.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.322 -0.862 . . . . 0.0 109.989 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 29' ' ' SER . 1.8 mt-30 -60.33 -32.23 71.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.085 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -45.55 77.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.446 -0.784 . . . . 0.0 109.89 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -29.64 66.48 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.44 -0.787 . . . . 0.0 109.995 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -87.22 -41.65 13.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.478 -0.764 . . . . 0.0 110.065 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.697 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -61.02 -30.57 70.38 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.03 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -83.97 -58.98 2.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.473 -0.767 . . . . 0.0 109.779 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -52.32 -34.03 45.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.493 -0.755 . . . . 0.0 109.305 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -82.15 -33.42 29.57 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -65.77 -50.82 63.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.382 -0.824 . . . . 0.0 109.77 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 8.2 ptt180 -67.99 -32.55 73.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.453 -0.78 . . . . 0.0 109.769 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -47.89 69.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.0 109.302 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.73 -23.1 53.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.561 -0.712 . . . . 0.0 109.179 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 42' ' ' ARG . . . -65.69 -31.71 72.87 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.486 -0.759 . . . . 0.0 109.989 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.84 -38.91 16.35 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.407 -0.808 . . . . 0.0 110.152 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.4 -26.52 68.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.443 -0.785 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -90.54 -29.27 17.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.379 -0.826 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 -35.96 69.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.294 -0.879 . . . . 0.0 110.174 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.52 -23.14 56.66 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.349 -0.844 . . . . 0.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.25 -26.53 33.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.401 -0.812 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.18 -28.0 9.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.239 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.439 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 -179.875 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.133 0.492 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -79.35 -34.39 42.13 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.202 -0.937 . . . . 0.0 109.392 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.63 -37.07 80.25 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.76 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.6 -29.99 66.53 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 tt -76.02 -39.37 55.85 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.792 . . . . 0.0 109.773 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -51.48 7.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.477 -0.764 . . . . 0.0 110.368 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.3 tpt -56.16 -43.9 78.78 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.209 -0.932 . . . . 0.0 110.496 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.1 m -67.05 -41.69 86.07 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.898 . . . . 0.0 110.476 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 tp -80.26 -18.09 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.168 -0.957 . . . . 0.0 110.042 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -43.76 72.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.37 -0.831 . . . . 0.0 109.66 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -27.39 48.04 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.429 -0.794 . . . . 0.0 109.804 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.405 -0.809 . . . . 0.0 110.09 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 121.169 0.509 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 t -63.45 -29.43 70.71 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.325 -0.859 . . . . 0.0 110.096 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.6 m -109.84 29.62 7.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.342 -0.849 . . . . 0.0 110.152 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.404 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . 2.2 mtt -106.66 137.36 44.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.459 -0.775 . . . . 0.0 110.136 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.8 p -70.47 168.4 16.27 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.378 -0.826 . . . . 0.0 110.208 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.27 -31.41 65.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.359 -0.838 . . . . 0.0 110.077 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.442 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 29.3 mt-10 -79.69 -35.68 38.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.467 -0.771 . . . . 0.0 109.961 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.99 -62.07 1.9 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.284 -0.885 . . . . 0.0 109.848 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' HG3' ' HB3' ' A' ' 87' ' ' MET . 45.2 mt-30 -59.15 -29.32 67.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.337 -0.852 . . . . 0.0 109.355 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -69.65 -36.53 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.588 -0.695 . . . . 0.0 109.283 179.399 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.08 72.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.384 -0.823 . . . . 0.0 109.575 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.22 -44.0 15.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.491 -0.756 . . . . 0.0 110.076 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.76 -28.07 62.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.4 -0.812 . . . . 0.0 110.387 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.3 tpt -83.25 -24.48 32.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.382 -0.824 . . . . 0.0 109.85 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -76.06 -33.86 59.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.408 -0.808 . . . . 0.0 110.078 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.1 mmm -85.12 -27.14 26.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.337 -0.852 . . . . 0.0 110.234 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -78.56 -23.6 46.04 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.863 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.258 -0.901 . . . . 0.0 110.096 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 N--CA 1.488 1.193 0 CA-C-O 121.799 0.666 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.2 t 63.36 35.51 12.22 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.524 0.678 . . . . 0.0 109.315 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' SER . . . 36.32 37.32 0.05 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.348 0.594 . . . . 0.0 111.035 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.57 121.52 0.62 Allowed Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.33 -30.71 12.45 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.071 1.563 . . . . 0.0 110.346 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.71 -40.95 96.22 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.332 -0.855 . . . . 0.0 109.903 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -31.26 68.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.417 -0.802 . . . . 0.0 109.859 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.33 85.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.37 -0.832 . . . . 0.0 109.836 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.33 -40.07 95.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.432 -0.792 . . . . 0.0 109.939 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.3 73.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.447 -0.783 . . . . 0.0 110.008 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -24.22 62.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.799 . . . . 0.0 110.098 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.81 -28.89 44.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.842 . . . . 0.0 109.062 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.19 -26.4 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.55 -0.719 . . . . 0.0 109.691 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.56 -46.38 26.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.436 -0.79 . . . . 0.0 110.036 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -43.45 92.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.445 -0.785 . . . . 0.0 110.013 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -63.85 -39.07 93.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.414 -0.804 . . . . 0.0 110.208 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.68 -46.2 79.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.798 . . . . 0.0 110.213 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -61.44 -36.29 79.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.421 -0.799 . . . . 0.0 110.117 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.3 -40.35 95.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.441 -0.787 . . . . 0.0 110.097 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.69 -31.0 72.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.339 -0.851 . . . . 0.0 110.174 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -85.05 -45.75 11.83 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.84 . . . . 0.0 110.272 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.695 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -62.76 -27.27 69.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.336 -0.852 . . . . 0.0 110.235 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -84.26 -58.6 2.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.425 -0.797 . . . . 0.0 109.823 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -50.78 -34.99 29.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.515 -0.74 . . . . 0.0 109.46 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.9 -34.62 26.6 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.641 -0.662 . . . . 0.0 109.251 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.49 -51.98 60.24 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 109.743 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 36.0 ptt85 -64.07 -29.94 71.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 0.0 109.766 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -57.03 -43.65 82.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.234 -0.916 . . . . 0.0 109.185 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.06 -23.76 62.2 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.899 -0.72 . . . . 0.0 109.48 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -68.85 -25.5 64.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.462 -0.774 . . . . 0.0 110.034 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.17 -33.62 16.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.382 -0.824 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.75 -26.74 60.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.316 -0.865 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -95.36 -27.04 15.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.357 -0.839 . . . . 0.0 110.404 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 45' ' ' ALA . . . -73.33 -31.85 64.23 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.412 -0.805 . . . . 0.0 110.283 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.16 10.49 37.55 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.462 -0.774 . . . . 0.0 110.647 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -117.4 -32.13 5.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.176 -0.953 . . . . 0.0 110.244 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.89 -26.99 9.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -0.865 . . . . 0.0 110.311 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.312 0.577 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -75.28 -28.18 59.67 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.223 -0.923 . . . . 0.0 109.163 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.63 99.33 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.58 -0.848 . . . . 0.0 108.734 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -30.17 71.13 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tt -76.35 -41.02 49.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.539 -0.725 . . . . 0.0 110.02 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -78.27 -53.0 7.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.467 -0.771 . . . . 0.0 110.3 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.4 tpt -52.23 -40.55 61.77 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.25 -0.906 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.8 m -66.68 -45.16 79.74 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.349 -0.844 . . . . 0.0 110.471 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 71' ' ' ILE . 5.8 tp -80.54 -16.2 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m -70.41 -43.34 70.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.354 -0.841 . . . . 0.0 109.626 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -79.76 -28.38 40.39 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 109.787 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.41 -0.806 . . . . 0.0 109.938 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.123 0.487 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -24.0 59.74 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.337 -0.852 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.6 p -95.97 27.73 3.46 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.237 -0.915 . . . . 0.0 110.311 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 154.75 43.13 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.441 -0.787 . . . . 0.0 110.121 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.6 p -82.19 168.49 17.63 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.342 -0.849 . . . . 0.0 110.233 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.12 -29.1 63.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.44 -0.787 . . . . 0.0 110.174 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.439 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 2.7 mt-10 -79.97 -37.59 34.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.352 -0.843 . . . . 0.0 109.852 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -61.9 2.01 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.352 -0.842 . . . . 0.0 109.782 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -59.17 -27.55 65.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -0.824 . . . . 0.0 109.493 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -68.31 -45.22 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.604 -0.685 . . . . 0.0 109.524 179.485 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -58.05 -34.38 70.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 109.601 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -83.17 -26.77 30.59 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.486 -0.759 . . . . 0.0 110.039 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.62 -35.03 40.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.359 -0.838 . . . . 0.0 110.107 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.1 mtm -78.66 -25.74 44.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.311 -0.868 . . . . 0.0 109.388 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -76.23 -31.74 58.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.565 -0.71 . . . . 0.0 109.819 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -38.51 59.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.475 -0.765 . . . . 0.0 109.982 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.8 m -64.39 -48.28 76.03 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.441 -0.787 . . . . 0.0 110.112 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.397 -0.815 . . . . 0.0 110.136 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.485 0.977 0 N-CA-C 110.483 -0.622 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -63.8 -16.47 61.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.892 . . . . 0.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.99 -29.32 60.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.227 -0.921 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.98 118.21 0.67 Allowed Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.472 -0.767 . . . . 0.0 110.255 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -74.51 -36.14 3.2 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 O-C-N 123.941 1.495 . . . . 0.0 110.398 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.09 -39.8 91.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.452 -0.78 . . . . 0.0 110.289 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -71.86 -32.12 67.17 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.026 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.04 67.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.357 -0.839 . . . . 0.0 110.072 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -71.72 -45.1 62.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.331 -0.855 . . . . 0.0 110.047 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.0 76.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.351 -0.843 . . . . 0.0 110.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' A' ' 26' ' ' LEU . 48.6 tp -75.16 -21.34 58.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.352 -0.843 . . . . 0.0 110.332 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -80.57 -30.6 36.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 0.0 109.188 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.0 t -77.77 -28.43 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.658 -0.651 . . . . 0.0 109.703 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 m -77.66 -36.88 50.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.482 -0.761 . . . . 0.0 109.995 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.3 mtm -68.87 -37.13 78.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.453 -0.779 . . . . 0.0 110.037 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.88 -40.82 79.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.41 -0.807 . . . . 0.0 110.1 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -60.75 -44.82 96.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.271 -0.893 . . . . 0.0 110.058 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -33.11 72.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.331 -0.856 . . . . 0.0 110.023 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -37.18 71.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.431 -0.793 . . . . 0.0 109.928 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.65 -41.48 90.63 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.494 -0.754 . . . . 0.0 110.082 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -46.16 65.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.41 -0.806 . . . . 0.0 109.994 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.672 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -65.12 -24.73 67.5 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.32 -0.862 . . . . 0.0 110.035 179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -83.82 -58.56 2.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.452 -0.78 . . . . 0.0 109.514 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.86 -33.35 35.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.515 -0.741 . . . . 0.0 109.323 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -83.24 -33.64 26.03 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.39 -54.24 35.99 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.481 -0.762 . . . . 0.0 109.581 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 20.7 ptt85 -65.88 -30.44 71.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.442 -0.786 . . . . 0.0 109.575 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -44.41 68.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.376 -0.828 . . . . 0.0 109.312 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.87 -24.58 59.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.546 -0.721 . . . . 0.0 109.373 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -67.58 -34.82 77.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.507 -0.745 . . . . 0.0 109.972 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.89 -38.93 16.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.414 -0.804 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.12 -37.11 83.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.405 -0.809 . . . . 0.0 110.084 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -32.91 37.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.429 -0.795 . . . . 0.0 110.063 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.15 -28.94 64.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.36 -0.838 . . . . 0.0 110.04 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.47 16.95 14.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.457 -0.777 . . . . 0.0 110.242 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.38 -43.87 0.77 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 0.0 109.912 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.44 -26.91 60.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 0.0 109.924 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.372 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 179.88 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.194 0.521 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.79 -31.5 57.03 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.16 -0.962 . . . . 0.0 109.242 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.24 78.33 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.531 -0.867 . . . . 0.0 108.86 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.437 ' O ' ' CG2' ' A' ' 70' ' ' THR . 7.8 tt -61.01 -28.58 69.15 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 tt -77.26 -33.99 55.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.635 -0.665 . . . . 0.0 109.616 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -82.94 -56.74 3.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.493 -0.754 . . . . 0.0 110.107 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.9 mtt -52.22 -37.96 56.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.274 -0.891 . . . . 0.0 110.734 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 66' ' ' LEU . 7.7 t -72.05 -39.13 69.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.2 -0.938 . . . . 0.0 110.277 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.429 ' N ' HG23 ' A' ' 70' ' ' THR . 4.0 tp -85.71 -8.01 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.266 -0.896 . . . . 0.0 110.34 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -85.28 -40.12 16.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 109.754 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -92.45 -20.3 21.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.438 -0.789 . . . . 0.0 110.19 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.873 . . . . 0.0 110.427 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 121.054 0.454 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -32.67 69.36 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.376 -0.828 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -119.24 44.95 2.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 110.212 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 mtt -110.76 140.08 45.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.398 -0.814 . . . . 0.0 110.142 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.7 p -73.34 171.02 13.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.462 -0.774 . . . . 0.0 110.31 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.87 -33.55 66.96 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.184 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 8.7 mt-10 -80.62 -33.74 35.6 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.348 -0.845 . . . . 0.0 110.164 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -55.95 -62.26 1.82 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.318 -0.864 . . . . 0.0 110.013 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.07 -25.02 66.65 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.46 -0.775 . . . . 0.0 109.595 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -71.66 -43.71 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.464 -0.772 . . . . 0.0 109.623 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.98 -30.07 70.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.351 -0.843 . . . . 0.0 109.657 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -85.92 -46.26 10.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.468 -0.77 . . . . 0.0 110.026 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.9 64.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 110.18 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.431 ' O ' HD12 ' A' ' 101' ' ' LEU . 17.1 ttm -83.22 -29.34 28.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 109.672 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.565 ' HA ' HD12 ' A' ' 101' ' ' LEU . 7.8 tt0 -68.84 -32.92 72.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.459 -0.776 . . . . 0.0 109.862 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.9 mmm -87.27 -21.6 25.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.481 -0.762 . . . . 0.0 110.205 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -81.85 -28.49 32.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.267 -0.896 . . . . 0.0 110.365 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 98' ' ' GLN . 13.9 mt . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.332 -0.855 . . . . 0.0 110.132 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 N--CA 1.484 0.969 0 N-CA-C 110.356 -0.671 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -21.92 65.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.363 -0.835 . . . . 0.0 109.945 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.48 49.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.311 -0.868 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -148.85 109.7 3.52 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -74.69 -40.13 1.14 Allowed 'Trans proline' 0 C--N 1.306 -1.676 0 O-C-N 124.084 1.57 . . . . 0.0 110.421 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.45 -41.78 69.85 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.34 -0.85 . . . . 0.0 110.201 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.91 -38.08 85.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.361 -0.837 . . . . 0.0 109.795 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.21 78.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.519 -0.738 . . . . 0.0 110.057 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -73.65 -34.2 64.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.304 -0.872 . . . . 0.0 109.976 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.82 97.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.382 -0.824 . . . . 0.0 110.083 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' A' ' 26' ' ' LEU . 48.8 tp -76.15 -21.56 56.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.318 -0.864 . . . . 0.0 110.311 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -80.56 -29.32 37.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.877 . . . . 0.0 109.389 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 24' ' ' LEU . 85.0 t -78.63 -28.81 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.566 -0.708 . . . . 0.0 109.796 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 t -74.84 -45.61 42.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.444 -0.785 . . . . 0.0 110.033 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -64.09 -37.95 89.3 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.416 -0.803 . . . . 0.0 110.075 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.7 -34.32 75.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.427 -0.795 . . . . 0.0 110.088 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.71 -51.36 67.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.361 -0.837 . . . . 0.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -58.63 -33.16 69.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.313 -0.867 . . . . 0.0 110.149 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -40.02 67.23 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.393 -0.817 . . . . 0.0 110.031 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -35.76 69.76 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.406 -0.809 . . . . 0.0 110.091 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -43.07 63.57 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.425 -0.797 . . . . 0.0 109.908 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -72.71 -21.93 60.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.426 -0.796 . . . . 0.0 110.071 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.44 -58.34 3.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.47 -0.769 . . . . 0.0 109.538 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.56 -31.81 37.8 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.421 -0.799 . . . . 0.0 109.148 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -84.59 -34.64 23.12 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.39 -53.9 41.2 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.47 -0.769 . . . . 0.0 109.501 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 33.9 ptt85 -63.56 -30.95 71.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.388 -0.82 . . . . 0.0 109.571 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -44.56 71.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.42 -0.8 . . . . 0.0 109.273 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.96 -23.18 60.64 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.502 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -68.97 -34.0 74.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.495 -0.753 . . . . 0.0 110.052 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.73 -39.88 15.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.406 -0.809 . . . . 0.0 110.167 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.47 -28.03 68.01 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.318 -0.864 . . . . 0.0 110.143 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.23 -28.34 15.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.377 -0.827 . . . . 0.0 110.111 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.27 -25.87 66.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.372 -0.83 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.41 -26.45 65.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.342 -0.849 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.26 -33.01 72.6 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.405 -0.81 . . . . 0.0 110.13 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.36 -28.51 38.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.327 -0.858 . . . . 0.0 110.103 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.182 0.515 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.6 -32.15 53.43 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.215 -0.928 . . . . 0.0 109.331 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.12 81.15 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.5 -0.88 . . . . 0.0 108.823 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -30.95 67.79 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.542 ' C ' HD23 ' A' ' 67' ' ' LEU . 7.2 tt -74.52 -40.9 61.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.556 -0.715 . . . . 0.0 109.616 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' SER . 8.4 mmtt -81.07 -53.37 6.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.545 -0.722 . . . . 0.0 110.334 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 ttt -54.08 -41.13 67.87 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.206 -0.934 . . . . 0.0 110.636 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -68.1 -43.32 78.74 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.27 -0.894 . . . . 0.0 110.552 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.6 tp -83.44 -13.17 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 110.511 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 48.3 t -75.5 -46.18 33.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 0.0 109.887 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -79.41 -28.32 41.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.399 -0.813 . . . . 0.0 110.018 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.365 -0.834 . . . . 0.0 110.111 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.533 HD23 ' HE3' ' A' ' 87' ' ' MET . 33.9 mt . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.226 0.536 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -21.39 65.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.301 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -95.04 25.88 3.96 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 110.402 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.533 ' HE3' HD23 ' A' ' 84' ' ' LEU . 8.8 mtm -133.03 155.72 48.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.306 -0.871 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 76.2 p -57.56 155.24 9.95 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.349 -0.845 . . . . 0.0 110.067 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.64 -26.95 36.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.303 -0.873 . . . . 0.0 110.342 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -85.48 -34.62 21.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.424 -0.797 . . . . 0.0 110.116 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.03 -59.53 5.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.304 -0.873 . . . . 0.0 109.206 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -59.8 -21.65 61.14 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.482 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -75.06 -45.58 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.452 -0.78 . . . . 0.0 109.366 179.553 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -56.94 -35.22 68.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -0.834 . . . . 0.0 109.566 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -81.36 -37.21 28.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.562 -0.712 . . . . 0.0 110.064 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.41 -30.56 66.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.337 -0.852 . . . . 0.0 110.283 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -25.42 37.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.349 -0.844 . . . . 0.0 109.746 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -36.65 68.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.452 -0.78 . . . . 0.0 109.894 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 38.3 tpp -79.32 -26.23 42.21 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.448 -0.782 . . . . 0.0 110.194 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.7 p -73.95 -28.31 61.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.355 -0.84 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.346 -0.846 . . . . 0.0 110.201 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.486 1.031 0 N-CA-C 110.652 -0.557 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 t -60.06 -22.59 62.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.297 -0.877 . . . . 0.0 110.269 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.95 -23.74 66.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.313 -0.867 . . . . 0.0 110.346 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -169.54 123.64 0.68 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 0.0 110.008 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -75.71 -40.16 0.82 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 124.027 1.54 . . . . 0.0 110.414 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.29 -38.71 90.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -32.55 66.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.431 -0.793 . . . . 0.0 110.147 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -34.84 67.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.361 -0.837 . . . . 0.0 110.175 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -67.78 -44.24 77.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.39 -0.819 . . . . 0.0 109.974 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.2 72.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 110.045 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -70.9 -21.31 62.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.458 -0.776 . . . . 0.0 110.224 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -84.98 -33.54 22.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -0.874 . . . . 0.0 109.448 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 24' ' ' LEU . 59.0 t -72.9 -29.03 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.458 -0.776 . . . . 0.0 109.824 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -79.27 -46.17 18.32 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.442 -0.786 . . . . 0.0 110.123 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.7 tpp -64.5 -33.83 76.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 0.0 110.045 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -72.0 -36.63 69.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.31 -0.869 . . . . 0.0 110.086 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.57 -43.87 83.81 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.354 -0.841 . . . . 0.0 109.941 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -36.37 82.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.369 -0.832 . . . . 0.0 110.002 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -35.72 75.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.371 -0.83 . . . . 0.0 110.049 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.54 -39.36 90.79 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.337 -0.852 . . . . 0.0 110.001 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.9 mtt85 -71.8 -37.38 70.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.819 . . . . 0.0 109.926 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.532 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 4.4 tp-100 -74.91 -24.61 58.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.44 -0.788 . . . . 0.0 110.137 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -77.32 -53.96 7.05 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.82 . . . . 0.0 109.417 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.27 -32.4 56.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.373 -0.83 . . . . 0.0 108.813 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.36 -36.04 21.01 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.709 -0.619 . . . . 0.0 109.39 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -67.41 -56.86 7.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.349 -0.844 . . . . 0.0 109.783 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -59.52 -36.19 75.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.388 -0.82 . . . . 0.0 110.151 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -42.63 76.96 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.293 -0.879 . . . . 0.0 110.041 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.79 -28.24 63.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.384 -0.823 . . . . 0.0 109.906 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.49 64.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.382 -0.824 . . . . 0.0 110.096 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.51 -39.27 88.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.401 -0.812 . . . . 0.0 110.147 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -34.65 78.88 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.331 -0.856 . . . . 0.0 110.09 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -51.97 9.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.369 -0.832 . . . . 0.0 110.118 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.3 -24.19 66.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.412 -0.805 . . . . 0.0 110.207 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.67 20.54 8.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.887 . . . . 0.0 110.405 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -149.56 -59.88 0.21 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.872 . . . . 0.0 110.221 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.06 29.11 7.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.344 -0.848 . . . . 0.0 110.245 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.385 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.258 0.551 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -77.36 -32.07 54.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.184 -0.948 . . . . 0.0 109.27 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.74 82.72 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.419 -0.913 . . . . 0.0 108.641 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 70' ' ' THR . 0.5 OUTLIER -69.2 -30.67 68.9 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.586 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -75.99 -43.0 46.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.591 -0.693 . . . . 0.0 109.596 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -74.92 -52.7 10.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.464 -0.773 . . . . 0.0 110.021 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.6 ttt -51.47 -37.54 49.4 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.378 -0.826 . . . . 0.0 110.648 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 66' ' ' LEU . 7.0 p -68.34 -45.63 72.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.284 -0.885 . . . . 0.0 110.405 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.5 tp -82.8 -12.07 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.233 -0.917 . . . . 0.0 110.33 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.88 -45.68 34.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.923 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.95 -25.29 34.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.35 -0.844 . . . . 0.0 110.191 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 84' ' ' LEU . 4.2 mm? . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.283 0.563 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -13.7 62.41 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.365 -0.834 . . . . 0.0 110.492 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.11 29.33 2.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.2 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.442 ' SD ' HD13 ' A' ' 84' ' ' LEU . 39.4 mtt -113.02 131.39 55.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.373 -0.829 . . . . 0.0 110.11 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.446 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 69.3 p -65.26 -172.42 0.1 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.371 -0.831 . . . . 0.0 110.414 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 93' ' ' ILE . 4.1 mt-10 -63.9 -33.34 75.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.526 -0.734 . . . . 0.0 110.155 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 8.4 mm-40 -84.58 -31.69 24.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.459 -0.776 . . . . 0.0 110.224 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HB2' ' N ' ' A' ' 88' ' ' THR . 5.4 mt-10 -58.82 -61.9 2.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.225 -0.922 . . . . 0.0 109.602 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -59.32 -29.63 67.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.34 -0.85 . . . . 0.0 109.212 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.0 OUTLIER -70.94 -34.54 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.24 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 98' ' ' GLN . . . -62.4 -34.7 77.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.422 -0.799 . . . . 0.0 109.357 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.41 -44.01 30.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.556 -0.715 . . . . 0.0 109.958 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.13 81.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.498 -0.751 . . . . 0.0 110.255 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.7 mtp -77.19 -24.3 51.39 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.334 -0.854 . . . . 0.0 109.556 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 6.3 tt0 -67.15 -46.29 74.5 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.496 -0.752 . . . . 0.0 109.804 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 29.9 mtm -69.87 -32.53 70.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.396 -0.815 . . . . 0.0 109.987 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -26.72 53.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.337 -0.852 . . . . 0.0 110.126 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.873 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.825 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 37.2 Cg_endo . . . . . 0 N--CA 1.483 0.909 0 N-CA-C 110.43 -0.642 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER 70.38 48.23 0.49 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.231 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.86 27.93 0.53 Allowed 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.712 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.499 ' CB ' HD12 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -164.08 117.47 1.02 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.256 -0.902 . . . . 0.0 110.472 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.33 -37.21 2.65 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 O-C-N 124.077 1.567 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.4 -42.85 99.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.37 -0.831 . . . . 0.0 109.873 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD12 ' CB ' ' A' ' 19' ' ' ASP . 1.1 mt -62.61 -32.08 73.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.366 -0.834 . . . . 0.0 110.017 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.825 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . . . -63.74 -58.09 7.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.417 -0.802 . . . . 0.0 110.057 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 28' ' ' VAL . 6.1 tp -60.96 -30.21 70.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.343 -0.848 . . . . 0.0 110.115 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.53 88.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.362 -0.836 . . . . 0.0 109.957 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.66 -23.67 66.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.395 -0.816 . . . . 0.0 110.083 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -78.6 -30.06 46.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.361 -0.837 . . . . 0.0 109.084 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 24' ' ' LEU . 87.2 t -70.95 -31.13 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.457 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -37.01 62.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.411 -0.806 . . . . 0.0 109.819 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.3 mtt -61.96 -46.02 91.09 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.496 -0.753 . . . . 0.0 109.845 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -61.52 -43.93 97.97 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.915 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -32.21 70.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.392 -0.817 . . . . 0.0 109.909 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.17 -41.46 94.62 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.378 -0.826 . . . . 0.0 109.843 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -47.81 84.35 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.373 -0.83 . . . . 0.0 109.762 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -56.9 -29.61 63.16 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.398 -0.814 . . . . 0.0 109.749 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -42.58 34.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.543 -0.723 . . . . 0.0 109.768 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.663 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 1.8 tm0? -64.5 -29.58 70.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.372 -0.83 . . . . 0.0 109.896 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -83.52 -56.38 3.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.441 -0.787 . . . . 0.0 109.539 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.06 -31.96 44.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.425 -0.797 . . . . 0.0 109.246 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -85.31 -33.51 22.08 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -65.0 -51.78 59.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.436 -0.79 . . . . 0.0 109.648 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.585 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.3 ptt180 -65.63 -31.83 73.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 109.57 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -53.61 -47.84 69.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.831 . . . . 0.0 109.262 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.75 -25.05 65.43 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.127 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -67.89 -35.96 79.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.608 -0.682 . . . . 0.0 109.931 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.37 -41.35 14.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.432 -0.792 . . . . 0.0 110.045 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.27 69.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.345 -0.847 . . . . 0.0 110.066 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.9 t -84.41 -39.02 19.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.404 -0.81 . . . . 0.0 110.134 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.9 69.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.409 -0.807 . . . . 0.0 110.098 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.41 -8.45 56.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.392 -0.817 . . . . 0.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -104.84 -42.49 5.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.229 -0.919 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.18 27.86 7.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.831 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.223 0.535 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.7 -28.45 60.81 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.266 -0.896 . . . . 0.0 109.176 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.81 95.75 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.566 -0.854 . . . . 0.0 108.796 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -28.36 69.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 67' ' ' LEU . 5.9 tp -75.03 -47.72 27.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.413 -0.804 . . . . 0.0 109.874 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -79.45 -51.52 9.25 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.399 -0.813 . . . . 0.0 110.678 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.9 tpt -54.01 -37.84 64.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.147 -0.971 . . . . 0.0 110.776 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.2 m -72.73 -41.39 65.22 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.203 -0.935 . . . . 0.0 110.65 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 71' ' ' ILE . 5.3 tp -81.36 -18.8 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.127 -0.983 . . . . 0.0 110.056 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.2 m -73.82 -37.31 64.9 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.36 -0.837 . . . . 0.0 109.427 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.65 -25.69 38.13 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.487 -0.758 . . . . 0.0 109.948 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.418 -0.801 . . . . 0.0 110.238 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.2 mt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.182 0.515 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.3 t -60.11 -28.75 68.11 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.327 -0.858 . . . . 0.0 110.25 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.2 m -103.52 46.39 0.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.334 -0.853 . . . . 0.0 110.226 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 mtt -135.93 122.12 20.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.352 -0.843 . . . . 0.0 110.214 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.45 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 64.0 p -66.13 -173.17 0.17 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.393 -0.817 . . . . 0.0 110.268 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 93' ' ' ILE . 6.4 mt-10 -61.2 -33.52 73.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.479 -0.763 . . . . 0.0 110.204 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 37.9 mt-10 -82.57 -33.55 28.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.41 -0.807 . . . . 0.0 110.371 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.45 ' HB2' ' N ' ' A' ' 88' ' ' THR . 28.1 mm-40 -57.29 -62.12 2.0 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.24 -0.912 . . . . 0.0 109.844 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -59.34 -29.11 67.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.286 -0.884 . . . . 0.0 109.29 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.1 mt -71.8 -33.53 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.577 -0.702 . . . . 0.0 109.223 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.17 -28.6 69.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.378 -0.826 . . . . 0.0 109.439 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.58 -40.48 16.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.478 -0.764 . . . . 0.0 110.179 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.12 -27.77 48.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.36 -0.838 . . . . 0.0 110.349 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.2 ttm -83.09 -27.74 30.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.88 . . . . 0.0 109.732 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -75.54 -34.91 60.79 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.437 -0.789 . . . . 0.0 109.986 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.7 mmm -80.1 -28.43 39.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.426 -0.796 . . . . 0.0 110.004 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.8 t -76.18 -28.38 57.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.365 -0.834 . . . . 0.0 110.038 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' A' ' 101' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.343 -0.848 . . . . 0.0 110.114 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.485 0.988 0 N-CA-C 110.397 -0.655 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -21.42 66.73 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.318 -0.864 . . . . 0.0 110.289 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.25 -35.55 37.66 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.185 -0.947 . . . . 0.0 110.429 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.37 119.93 0.6 Allowed Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.358 -0.839 . . . . 0.0 110.075 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -75.22 -35.06 3.2 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 O-C-N 123.958 1.504 . . . . 0.0 110.394 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -32.96 74.75 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.359 -0.838 . . . . 0.0 110.159 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -27.75 43.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.503 -0.748 . . . . 0.0 110.203 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.66 -46.69 65.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.795 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -68.85 -40.01 79.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.294 -0.879 . . . . 0.0 110.125 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.59 71.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.305 -0.872 . . . . 0.0 110.177 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -21.63 66.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.286 -0.884 . . . . 0.0 110.165 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -32.81 39.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.355 -0.841 . . . . 0.0 109.078 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 24' ' ' LEU . 86.4 t -69.28 -31.54 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.522 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -40.44 61.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.454 -0.779 . . . . 0.0 109.883 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtp -61.7 -44.43 96.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.422 -0.799 . . . . 0.0 109.977 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.72 -38.91 89.65 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 0.0 109.939 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.56 -36.07 79.58 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.374 -0.829 . . . . 0.0 109.996 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -38.28 89.96 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.366 -0.834 . . . . 0.0 109.852 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -40.23 96.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.394 -0.816 . . . . 0.0 109.963 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.94 -40.12 92.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.43 -0.794 . . . . 0.0 110.048 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -44.61 66.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.451 -0.781 . . . . 0.0 109.903 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.604 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -66.97 -24.33 66.04 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.385 -0.822 . . . . 0.0 110.015 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -83.83 -54.42 4.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.42 -0.8 . . . . 0.0 109.57 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -52.88 -34.25 53.86 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.306 -0.871 . . . . 0.0 109.017 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.01 -34.66 24.26 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.752 -0.592 . . . . 0.0 109.412 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -68.61 -56.43 8.25 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.345 -0.847 . . . . 0.0 109.85 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -59.05 -35.99 74.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.424 -0.797 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -57.61 -49.78 75.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.264 -0.897 . . . . 0.0 109.966 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.15 -27.81 66.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.349 -0.844 . . . . 0.0 109.946 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.75 83.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.392 -0.817 . . . . 0.0 110.032 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.0 68.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 110.062 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.31 -33.9 61.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.417 -0.802 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -68.61 -33.25 73.72 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.329 -0.857 . . . . 0.0 110.095 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.74 -32.71 41.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.152 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.44 -10.94 47.46 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.426 -0.796 . . . . 0.0 110.477 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -111.49 -51.29 2.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.285 -0.884 . . . . 0.0 110.248 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.0 24.8 10.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 110.383 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 179.904 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.337 0.589 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -75.05 -29.0 60.61 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.242 -0.911 . . . . 0.0 109.152 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.47 -35.75 80.3 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.554 -0.858 . . . . 0.0 108.795 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -31.58 67.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 tt -75.55 -38.05 59.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.478 -0.764 . . . . 0.0 109.508 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -80.57 -53.16 6.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.526 -0.734 . . . . 0.0 110.287 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.4 mmt -55.24 -41.08 71.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.132 -0.98 . . . . 0.0 110.467 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.1 m -66.0 -45.72 80.56 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.288 -0.882 . . . . 0.0 110.37 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.3 tp -80.93 -15.14 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.198 -0.939 . . . . 0.0 110.178 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' LYS . 40.8 t -72.2 -35.3 68.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.377 -0.827 . . . . 0.0 109.704 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -88.4 -25.03 22.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.447 -0.783 . . . . 0.0 110.049 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 110.422 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 121.076 0.465 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -12.56 61.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.238 -0.913 . . . . 0.0 110.605 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.0 t -73.23 -22.94 60.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.131 -0.98 . . . . 0.0 110.534 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.416 ' HB2' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -109.21 -162.81 0.83 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.294 -0.879 . . . . 0.0 110.474 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.3 p -96.65 170.04 9.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.277 -0.889 . . . . 0.0 110.484 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.17 -36.9 76.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.405 -0.81 . . . . 0.0 109.999 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.478 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 6.0 mt-10 -71.13 -35.95 71.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 109.795 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 87' ' ' MET . 4.9 mm-40 -56.7 -57.51 12.1 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.298 -0.876 . . . . 0.0 109.676 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' HG3' ' CG ' ' A' ' 87' ' ' MET . 56.4 mt-30 -60.53 -32.92 71.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.337 -0.852 . . . . 0.0 109.055 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.478 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -65.19 -40.79 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.795 -0.566 . . . . 0.0 109.512 179.474 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.5 -23.36 67.25 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.27 -0.894 . . . . 0.0 109.733 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -86.34 -36.3 19.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.396 -0.815 . . . . 0.0 110.174 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.99 -31.79 27.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.344 -0.848 . . . . 0.0 110.377 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 27.7 mtt -81.13 -28.4 35.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.742 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -77.97 -43.13 30.6 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.899 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.6 tpp -66.48 -30.45 70.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.424 -0.797 . . . . 0.0 109.855 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 t -81.35 -20.32 40.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.417 -0.802 . . . . 0.0 110.284 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.277 -0.889 . . . . 0.0 110.241 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 N--CA 1.484 0.966 0 N-CA-C 110.695 -0.54 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -63.45 -16.84 61.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.273 -0.892 . . . . 0.0 110.303 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.24 75.82 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.165 -0.959 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.42 120.46 0.61 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.103 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -74.76 -34.98 3.69 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 O-C-N 123.974 1.513 . . . . 0.0 110.515 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.44 -38.82 88.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.293 -0.88 . . . . 0.0 110.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -73.24 -30.23 63.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.403 -0.811 . . . . 0.0 110.06 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.64 -55.06 26.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.35 -0.844 . . . . 0.0 109.984 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.868 ' O ' HG23 ' A' ' 28' ' ' VAL . 26.2 tp -63.96 -34.67 78.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.338 -0.851 . . . . 0.0 110.026 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.58 76.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.356 -0.84 . . . . 0.0 110.159 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.866 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.0 tm? -62.81 -26.29 68.67 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 109.841 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -82.34 -25.23 34.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 0.0 109.786 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 24' ' ' LEU . 67.8 t -77.65 -39.48 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.427 -0.796 . . . . 0.0 109.784 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -70.51 -43.13 70.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.371 -0.831 . . . . 0.0 109.877 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.45 -37.55 86.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.388 -0.82 . . . . 0.0 109.976 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -38.47 91.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.447 -0.783 . . . . 0.0 109.966 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.06 -40.78 96.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 109.985 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -38.52 88.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.274 -0.891 . . . . 0.0 110.0 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -35.33 74.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.298 -0.876 . . . . 0.0 109.813 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -59.19 -37.17 76.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.373 -0.83 . . . . 0.0 109.986 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -72.86 -37.99 67.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.41 -0.807 . . . . 0.0 109.969 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.579 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 8.6 mt-30 -72.22 -19.42 61.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.398 -0.814 . . . . 0.0 110.179 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -83.68 -56.04 3.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.575 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -53.97 -31.89 52.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 109.09 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.49 -35.73 22.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.637 -0.664 . . . . 0.0 109.493 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -69.69 -55.34 10.23 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.329 -0.857 . . . . 0.0 109.932 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -59.66 -35.38 74.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.561 -0.712 . . . . 0.0 110.1 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -58.27 -48.01 81.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.373 -0.83 . . . . 0.0 110.145 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.12 -29.25 54.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.393 -0.817 . . . . 0.0 109.982 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.18 -31.08 70.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.346 -0.846 . . . . 0.0 110.093 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.64 -38.2 29.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.422 -0.799 . . . . 0.0 110.087 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.91 -29.3 68.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.205 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.41 -37.1 17.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 110.225 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.98 -24.86 67.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.37 -0.831 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.03 17.34 23.17 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.37 -30.77 12.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.298 -0.876 . . . . 0.0 110.008 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.89 18.16 1.97 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.382 -0.824 . . . . 0.0 110.274 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.243 0.544 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -76.18 -28.43 57.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.256 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.12 99.31 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.489 -0.885 . . . . 0.0 108.765 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 70' ' ' THR . 0.1 OUTLIER -66.62 -31.04 71.48 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.568 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.31 -42.25 59.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.67 -0.644 . . . . 0.0 109.833 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -52.96 8.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.439 -0.788 . . . . 0.0 110.154 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.3 ttt -49.71 -38.26 32.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.304 -0.873 . . . . 0.0 110.57 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 66' ' ' LEU . 18.0 p -70.67 -42.31 70.92 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.38 -0.825 . . . . 0.0 110.546 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -83.3 -12.92 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.244 -0.91 . . . . 0.0 110.404 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -77.21 -47.45 20.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.325 -0.859 . . . . 0.0 109.845 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -78.9 -24.02 44.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.454 -0.779 . . . . 0.0 110.056 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.334 -0.854 . . . . 0.0 110.276 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.154 0.502 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -27.06 67.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.358 -0.838 . . . . 0.0 110.224 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.3 t -97.76 34.99 1.76 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.38 -0.825 . . . . 0.0 110.273 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.8 mtt -124.12 136.46 54.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -0.839 . . . . 0.0 110.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.4 p -71.14 173.29 7.83 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.37 -0.832 . . . . 0.0 110.225 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -58.3 -34.41 70.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.406 -0.809 . . . . 0.0 110.249 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.443 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 35.5 mt-10 -80.81 -33.14 34.96 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.384 -0.823 . . . . 0.0 110.086 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.51 -62.09 1.97 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.243 -0.91 . . . . 0.0 109.908 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -60.2 -29.41 68.71 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.291 -0.88 . . . . 0.0 109.421 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -65.36 -46.83 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.578 -0.701 . . . . 0.0 109.436 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.43 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -56.76 -37.68 71.4 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.44 -0.787 . . . . 0.0 109.625 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -82.46 -27.74 31.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.484 -0.76 . . . . 0.0 109.851 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.38 -38.44 63.16 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.449 -0.782 . . . . 0.0 110.144 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.9 mtt -80.34 -22.29 41.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.8 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -44.61 37.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.436 -0.79 . . . . 0.0 110.037 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.9 mmm -70.07 -31.9 69.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.354 -0.841 . . . . 0.0 109.993 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 m -66.47 -49.75 65.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.45 -0.782 . . . . 0.0 110.215 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.406 -0.809 . . . . 0.0 110.486 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 22.2 m170 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.221 0.534 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 mmm -96.02 179.02 5.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.379 -0.826 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mt -111.9 25.01 12.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.378 -0.826 . . . . 0.0 109.574 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.18 62.59 2.84 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tp -151.52 33.27 0.56 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.366 -1.079 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.9 90.11 0.61 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.04 -47.85 7.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.377 -1.072 . . . . 0.0 110.235 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 p -110.6 -23.32 11.16 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.408 -0.808 . . . . 0.0 110.345 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -28.3 61.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.294 -0.879 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CD1' HG11 ' A' ' 14' ' ' VAL . 29.3 m-85 -142.45 108.73 5.26 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.415 -0.803 . . . . 0.0 110.201 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -92.72 58.63 3.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.318 -0.864 . . . . 0.0 110.191 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 48.6 m-85 52.06 28.25 5.19 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.41 -0.806 . . . . 0.0 110.447 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.32 46.61 1.1 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 10' ' ' PHE . 34.9 m -139.67 -40.34 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.405 -1.056 . . . . 0.0 110.47 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' N ' HG23 ' A' ' 14' ' ' VAL . 21.3 p-10 -127.59 133.57 25.24 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.281 -0.887 . . . . 0.0 110.348 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.66 -24.95 21.24 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.503 1.264 . . . . 0.0 110.436 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -61.15 -22.4 64.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.891 . . . . 0.0 110.206 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -16.68 61.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 110.343 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -157.17 116.08 1.99 Allowed Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.294 -0.879 . . . . 0.0 110.137 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.27 -45.02 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 O-C-N 123.928 1.489 . . . . 0.0 110.664 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -61.64 -51.11 69.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.299 -0.875 . . . . 0.0 110.204 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.17 -30.33 71.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.439 -0.788 . . . . 0.0 110.148 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.98 -54.19 45.14 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.364 -0.835 . . . . 0.0 110.106 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 mm? -63.33 -37.48 87.41 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.331 -0.856 . . . . 0.0 110.048 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.4 75.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.402 -0.811 . . . . 0.0 110.029 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -24.88 58.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.441 -0.787 . . . . 0.0 110.202 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.29 -31.23 23.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 0.0 109.463 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 24' ' ' LEU . 60.0 t -80.64 -28.29 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.619 -0.675 . . . . 0.0 109.817 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.7 m -77.75 -46.35 21.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.451 -0.781 . . . . 0.0 110.032 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -40.84 97.99 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.367 -0.833 . . . . 0.0 109.949 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -69.29 -32.35 71.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.406 -0.809 . . . . 0.0 110.043 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.88 -50.97 60.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.382 -0.824 . . . . 0.0 110.076 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -35.55 75.77 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.325 -0.859 . . . . 0.0 110.069 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -46.26 91.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.344 -0.848 . . . . 0.0 110.049 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -59.38 -35.05 73.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.352 -0.843 . . . . 0.0 109.982 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.35 -45.67 65.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.41 -0.806 . . . . 0.0 109.925 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.679 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.0 tt0 -71.58 -23.15 61.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.445 -0.785 . . . . 0.0 110.109 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -83.69 -57.35 3.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.393 -0.817 . . . . 0.0 109.738 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.61 -32.59 42.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.464 -0.773 . . . . 0.0 109.315 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -32.71 23.63 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -66.17 -52.19 50.59 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.857 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 15.4 ptt180 -66.31 -31.64 72.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.339 -0.851 . . . . 0.0 109.825 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 1.1 ttp180 -54.47 -49.24 70.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.319 -0.863 . . . . 0.0 109.195 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.05 -23.76 64.09 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.866 -0.734 . . . . 0.0 109.218 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -69.8 -34.26 73.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.535 -0.728 . . . . 0.0 109.991 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.08 -39.48 12.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.393 -0.817 . . . . 0.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -32.82 74.07 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.39 -0.819 . . . . 0.0 110.139 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 t -89.42 -31.85 17.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.347 -0.846 . . . . 0.0 110.15 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 45' ' ' ALA . . . -64.62 -39.56 93.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.355 -0.841 . . . . 0.0 110.108 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 54' ' ' ILE . . . -104.54 -25.65 12.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.318 -0.864 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 52.39 79.07 0.12 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.333 -0.854 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 52.18 27.12 4.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.395 -0.816 . . . . 0.0 110.487 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.79 -51.23 1.55 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.47 HG22 ' CB ' ' A' ' 50' ' ' ALA . 7.4 tp -91.96 -22.57 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.376 -1.073 . . . . 0.0 110.413 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.98 103.42 14.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.258 -0.901 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.6 p -61.58 147.86 44.19 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.319 -0.863 . . . . 0.0 110.135 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -134.89 37.72 3.04 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.342 -0.849 . . . . 0.0 110.209 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.28 61.43 0.33 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 59' ' ' THR . 9.1 t -90.36 55.63 3.11 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.382 -1.069 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -91.5 57.33 3.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.65 -28.83 61.98 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.345 -0.847 . . . . 0.0 110.135 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.439 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 44.2 m -117.56 72.38 0.84 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.345 -0.847 . . . . 0.0 110.231 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -59.82 -29.2 68.09 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.323 -0.861 . . . . 0.0 110.203 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -76.09 -31.02 58.51 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.236 -0.915 . . . . 0.0 109.095 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' A' ' 62' ' ' SER . . . -61.08 -44.05 97.95 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.759 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.59 -30.63 71.72 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -37.94 60.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.6 -0.688 . . . . 0.0 109.632 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -79.19 -57.39 3.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.413 -0.804 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -37.26 50.32 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.223 -0.923 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.0 m -68.4 -44.17 75.64 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.367 -0.833 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.1 tp -82.03 -15.38 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.234 -0.916 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.7 p -71.96 -41.97 67.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.37 -0.831 . . . . 0.0 109.676 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -29.21 33.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.469 -0.769 . . . . 0.0 109.918 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -79.5 -33.05 42.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.437 -0.789 . . . . 0.0 110.149 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -74.87 -48.49 24.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.339 -0.851 . . . . 0.0 110.19 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -69.06 -32.36 71.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.355 -0.841 . . . . 0.0 110.273 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.25 -30.81 66.8 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -92.74 -43.75 8.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.439 -1.036 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 79' ' ' THR . 52.3 m 52.07 26.52 3.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 109.97 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.423 ' O ' ' HG ' ' A' ' 81' ' ' LEU . . . 104.88 -93.85 0.97 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.921 -1.671 . . . . 0.0 108.921 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 80' ' ' GLY . 0.2 OUTLIER -175.53 111.76 0.26 Allowed Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.619 -0.93 . . . . 0.0 110.014 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.59 -27.74 12.58 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.706 1.371 . . . . 0.0 110.422 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.92 119.58 8.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.313 -0.867 . . . . 0.0 110.317 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 mp -87.46 -43.98 11.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.361 -0.837 . . . . 0.0 110.197 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.5 p -59.75 -25.53 64.93 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.376 -0.828 . . . . 0.0 110.417 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -96.18 41.15 1.11 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.303 -0.873 . . . . 0.0 110.286 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.404 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . 26.7 mtm -150.67 138.17 19.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.319 -0.863 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.7 p -62.1 175.41 0.71 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.15 -33.37 72.08 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.343 -0.848 . . . . 0.0 110.206 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 5.4 mp0 -81.51 -34.73 31.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.29 -0.881 . . . . 0.0 109.997 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.85 -58.9 5.92 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.344 -0.847 . . . . 0.0 109.866 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' HG3' ' HB3' ' A' ' 87' ' ' MET . 62.3 mt-30 -62.01 -30.96 71.31 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.376 -0.827 . . . . 0.0 109.301 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -66.69 -40.08 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.501 -0.749 . . . . 0.0 109.586 179.678 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.27 91.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.436 -0.79 . . . . 0.0 109.624 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -65.87 -39.59 90.85 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.451 -0.78 . . . . 0.0 109.978 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.11 78.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.467 -0.771 . . . . 0.0 110.255 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.43 -27.9 41.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.0 109.577 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -63.34 -34.75 78.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.452 -0.78 . . . . 0.0 109.74 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -28.43 30.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.494 -0.754 . . . . 0.0 110.024 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.496 ' HA ' ' HB2' ' A' ' 104' ' ' ALA . 70.7 m -95.06 11.08 33.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.57 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 tp -81.24 -29.66 34.38 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.223 -0.923 . . . . 0.0 110.105 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -112.4 71.17 0.73 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.367 -0.833 . . . . 0.0 110.199 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.22 105.37 2.61 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 100' ' ' SER . . . -166.98 103.7 0.55 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.301 -1.117 . . . . 0.0 110.17 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -21.01 40.08 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.383 -0.823 . . . . 0.0 110.465 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -144.92 -60.18 0.36 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.187 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.94 165.7 15.71 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -102.14 58.4 0.82 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.313 -1.11 . . . . 0.0 110.243 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -132.75 97.84 4.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.362 -0.836 . . . . 0.0 110.218 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -105.96 23.39 14.06 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.419 -0.801 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -169.79 162.99 9.76 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.344 -0.847 . . . . 0.0 110.115 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.234 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.195 0.522 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.62 -175.49 3.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.35 -0.844 . . . . 0.0 110.196 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tp -113.43 28.38 8.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.434 -0.791 . . . . 0.0 109.461 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.92 -36.24 7.33 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -33.77 52.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.355 -1.085 . . . . 0.0 110.251 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.95 110.3 3.99 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.36 -48.52 4.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.342 -1.093 . . . . 0.0 110.133 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -78.75 -23.23 45.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.336 -0.852 . . . . 0.0 110.298 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -32.48 67.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.282 -0.886 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.561 ' HB3' HG21 ' A' ' 14' ' ' VAL . 39.1 m-85 -143.6 107.3 4.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.458 -0.776 . . . . 0.0 110.18 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -159.43 34.69 0.2 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.291 -0.881 . . . . 0.0 110.121 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.74 -43.68 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.416 -0.802 . . . . 0.0 110.202 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.37 51.88 0.68 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.561 HG21 ' HB3' ' A' ' 10' ' ' PHE . 84.0 t -125.21 -49.56 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.398 -1.06 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.547 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -148.2 -179.87 1.05 Allowed Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.406 -0.809 . . . . 0.0 110.082 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.697 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 37.0 Cg_endo -61.33 78.35 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.66 1.347 . . . . 0.0 110.635 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' ASP . 1.7 t 70.28 47.3 0.55 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 44.64 27.27 0.24 Allowed 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.798 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.44 119.06 0.58 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.26 -0.9 . . . . 0.0 110.265 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -73.49 -36.23 4.11 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 O-C-N 123.949 1.499 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -63.42 -49.52 73.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.389 -0.819 . . . . 0.0 110.172 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -29.26 66.53 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.263 -0.898 . . . . 0.0 110.058 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.697 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . . . -66.08 -44.5 84.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.372 -0.83 . . . . 0.0 110.065 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -73.39 -38.6 65.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.325 -0.859 . . . . 0.0 110.138 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.73 91.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.329 -0.857 . . . . 0.0 110.134 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.09 -21.43 62.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.267 -0.895 . . . . 0.0 110.214 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -79.19 -27.72 42.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -0.896 . . . . 0.0 109.165 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 24' ' ' LEU . 65.1 t -79.18 -27.81 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.6 -0.688 . . . . 0.0 109.679 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 t -76.25 -47.91 22.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.407 -0.808 . . . . 0.0 110.021 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.6 tpt -61.99 -40.57 96.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 110.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -63.22 -37.72 88.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.428 -0.795 . . . . 0.0 110.053 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.87 -37.14 85.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.323 -0.861 . . . . 0.0 110.052 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.86 -41.47 74.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.805 . . . . 0.0 110.085 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -47.0 88.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.388 -0.82 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -60.06 -40.63 90.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.396 -0.815 . . . . 0.0 110.142 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -70.48 -43.95 68.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.412 -0.805 . . . . 0.0 109.989 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 15.1 mm100 -73.95 -18.14 60.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.385 -0.822 . . . . 0.0 110.19 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.4 -59.23 2.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.43 -0.794 . . . . 0.0 109.698 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -53.17 -31.27 41.8 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.438 -0.789 . . . . 0.0 109.337 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -84.26 -35.2 23.55 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.58 -0.7 . . . . 0.0 109.695 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -73.37 -55.0 6.96 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.214 -0.929 . . . . 0.0 110.008 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -58.35 -47.2 84.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.443 -0.786 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -46.37 70.63 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.287 -0.883 . . . . 0.0 110.08 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.53 -24.7 63.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.464 -0.772 . . . . 0.0 109.854 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.2 -34.08 49.65 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 110.07 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.84 -39.25 64.14 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.366 -0.834 . . . . 0.0 110.155 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.51 -41.62 75.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -71.62 -17.97 62.24 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.28 -0.887 . . . . 0.0 110.433 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.53 -31.23 29.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.251 -0.905 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.81 -18.89 14.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.337 -0.852 . . . . 0.0 110.504 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -99.8 -57.36 2.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.201 -0.937 . . . . 0.0 110.176 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.04 4.99 45.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.383 -0.823 . . . . 0.0 110.594 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.16 13.73 44.37 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.406 ' H ' HG22 ' A' ' 54' ' ' ILE . 14.2 tt -100.95 -5.52 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.284 -1.127 . . . . 0.0 110.58 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.83 62.1 6.25 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.162 -0.961 . . . . 0.0 110.326 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.5 t -167.15 44.58 0.05 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.369 -0.832 . . . . 0.0 110.307 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 p -114.98 121.73 44.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.437 -0.789 . . . . 0.0 110.221 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.36 -150.59 6.84 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 59' ' ' THR . 8.7 t -148.92 114.75 5.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.35 -1.088 . . . . 0.0 110.14 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.0 mt-10 -130.25 47.13 2.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.814 . . . . 0.0 110.53 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -56.45 97.22 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.118 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.428 ' HB3' ' CB ' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -50.74 79.54 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.606 0.717 . . . . 0.0 110.576 -177.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.4 t70 -72.99 -48.97 31.79 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.833 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -72.21 -29.56 64.07 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.078 -1.013 . . . . 0.0 109.223 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 62' ' ' SER . . . -60.15 -47.62 85.15 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 119.505 -0.878 . . . . 0.0 108.902 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.77 -29.7 69.57 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tt -77.6 -34.93 53.33 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.506 -0.746 . . . . 0.0 109.766 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.6 -56.86 3.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -0.782 . . . . 0.0 110.733 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -41.05 69.89 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.138 -0.976 . . . . 0.0 110.725 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.6 m -68.64 -41.09 79.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.197 -0.94 . . . . 0.0 110.686 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' A' ' 71' ' ' ILE . 5.9 tp -82.1 -18.37 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.133 -0.98 . . . . 0.0 110.061 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.0 m -71.95 -37.5 69.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.302 -0.874 . . . . 0.0 109.883 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.94 -28.32 27.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.43 -0.794 . . . . 0.0 110.206 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -84.62 -40.57 17.32 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.288 -0.882 . . . . 0.0 110.381 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.35 -35.59 71.21 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.222 -0.924 . . . . 0.0 110.124 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.16 113.42 5.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.27 -0.894 . . . . 0.0 110.141 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.09 -47.69 0.74 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.95 -51.07 2.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -1.097 . . . . 0.0 110.417 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 79' ' ' THR . 24.4 m 52.11 68.03 0.88 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.312 -0.868 . . . . 0.0 109.866 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.426 ' O ' ' HG ' ' A' ' 81' ' ' LEU . . . 67.06 -83.31 0.12 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.994 -1.643 . . . . 0.0 108.994 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 80' ' ' GLY . 0.2 OUTLIER -180.0 112.33 0.2 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.655 -0.909 . . . . 0.0 109.975 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.35 -44.24 0.85 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 O-C-N 123.641 1.337 . . . . 0.0 110.43 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 t70 52.45 74.77 0.26 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.332 -0.855 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.3 mt -68.1 -26.49 65.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.323 -0.861 . . . . 0.0 110.374 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.7 t -56.21 -26.62 51.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.264 -0.897 . . . . 0.0 110.382 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.5 t -94.06 43.94 1.11 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.859 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.442 ' CG ' ' HB3' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -147.28 126.0 12.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.87 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.424 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 71.5 p -60.45 -177.93 0.08 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.365 -0.834 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.41 -33.28 73.43 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.408 -0.808 . . . . 0.0 110.263 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 8.1 mt-10 -82.82 -33.41 27.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.399 -0.813 . . . . 0.0 110.022 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.442 ' HB3' ' CG ' ' A' ' 87' ' ' MET . 44.4 mm-40 -56.8 -62.02 2.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.257 -0.902 . . . . 0.0 109.807 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -57.44 -31.48 65.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.337 -0.852 . . . . 0.0 109.12 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.449 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.9 OUTLIER -67.25 -38.17 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.09 -34.66 72.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.402 -0.811 . . . . 0.0 109.481 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.9 -46.73 17.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.506 -0.746 . . . . 0.0 109.863 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.65 92.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.465 -0.772 . . . . 0.0 110.224 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.2 mmt -76.53 -23.98 53.67 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.298 -0.876 . . . . 0.0 109.658 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -47.88 81.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 109.923 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.1 mmm -73.21 -29.89 63.13 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.454 -0.779 . . . . 0.0 110.029 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -12.3 61.14 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.485 -0.76 . . . . 0.0 110.435 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.67 33.0 1.51 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.2 -0.938 . . . . 0.0 110.292 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -167.13 35.2 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.274 -0.891 . . . . 0.0 110.08 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.72 95.58 0.16 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -168.08 111.21 0.61 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.298 -1.119 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 52.19 63.16 2.35 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.267 -0.896 . . . . 0.0 110.431 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.43 -71.43 0.74 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.373 -0.829 . . . . 0.0 110.091 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.55 66.88 2.2 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -104.47 56.89 0.71 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.354 -1.086 . . . . 0.0 110.115 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.67 -27.74 19.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.462 -0.774 . . . . 0.0 110.271 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.65 49.15 20.98 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.36 -0.837 . . . . 0.0 110.441 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 p -147.49 31.45 0.89 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.399 -0.813 . . . . 0.0 110.191 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.14 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.148 0.499 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.84 -167.15 2.7 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.836 . . . . 0.0 110.161 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 tp -113.11 24.33 12.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.443 -0.785 . . . . 0.0 109.657 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.21 -128.07 0.35 Allowed Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 5' ' ' LEU . 4.1 mm? -102.56 -59.65 1.67 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.372 -1.075 . . . . 0.0 110.116 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.47 -102.64 2.38 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.71 114.37 1.81 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.26 -1.141 . . . . 0.0 110.248 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.98 24.09 3.23 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.476 -0.765 . . . . 0.0 110.567 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -94.98 -20.3 19.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.372 -0.83 . . . . 0.0 110.082 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -133.73 96.37 3.66 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.874 . . . . 0.0 110.098 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 11' ' ' GLU . 4.7 pt-20 -143.22 103.0 4.08 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.311 -0.868 . . . . 0.0 110.271 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 54.47 22.28 3.78 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.357 -0.84 . . . . 0.0 110.628 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.37 7.45 5.01 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.41 -25.62 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.153 -1.204 . . . . 0.0 110.349 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.69 167.52 0.17 Allowed Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.457 -0.777 . . . . 0.0 110.692 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.97 -14.55 35.57 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.806 1.424 . . . . 0.0 110.527 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -21.75 66.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.309 -0.87 . . . . 0.0 110.222 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.5 67.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.238 -0.914 . . . . 0.0 110.338 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.72 119.83 0.65 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 0.0 110.239 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -75.55 -38.62 1.3 Allowed 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.982 1.517 . . . . 0.0 110.373 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.32 -48.06 83.05 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.29 -0.881 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.39 -30.64 71.35 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.321 -0.862 . . . . 0.0 110.153 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.81 95.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -0.807 . . . . 0.0 110.237 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 28' ' ' VAL . 7.7 mt -72.05 -41.53 67.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.326 -0.859 . . . . 0.0 110.251 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.25 92.69 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.284 -0.885 . . . . 0.0 109.963 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -72.97 -21.52 60.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.49 -0.756 . . . . 0.0 110.144 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -83.74 -26.68 29.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.335 -0.853 . . . . 0.0 109.805 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 24' ' ' LEU . 57.9 t -77.73 -35.19 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.468 -0.77 . . . . 0.0 109.899 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -77.44 -35.54 53.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.39 -0.819 . . . . 0.0 110.021 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 ttt -68.76 -38.51 80.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 109.949 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.74 -36.83 76.16 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.397 -0.814 . . . . 0.0 109.989 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.94 -50.99 60.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.059 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -35.38 70.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.368 -0.832 . . . . 0.0 110.037 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -46.92 80.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.415 -0.803 . . . . 0.0 110.064 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.92 -51.12 62.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.342 -0.849 . . . . 0.0 110.274 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -50.01 34.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.44 -0.788 . . . . 0.0 110.027 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 8.2 tp-100 -58.35 -23.65 57.46 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.331 -0.855 . . . . 0.0 110.068 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 42.6 tt0 -73.28 -64.06 1.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.409 -0.807 . . . . 0.0 109.058 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.45 -29.76 11.06 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.409 -0.807 . . . . 0.0 109.117 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -26.76 26.22 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.662 -0.649 . . . . 0.0 109.65 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -85.72 -20.44 29.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.259 -0.901 . . . . 0.0 109.277 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' A' ' 38' ' ' GLU . 5.6 mpt_? -82.35 -38.11 24.68 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.666 -0.646 . . . . 0.0 109.583 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 43' ' ' ARG . 4.3 tpp180 -75.07 -35.21 61.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.5 -0.75 . . . . 0.0 109.683 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.98 74.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.433 -0.792 . . . . 0.0 109.947 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.44 -35.14 54.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.425 -0.797 . . . . 0.0 110.065 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -51.08 64.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.49 -0.756 . . . . 0.0 110.176 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.92 -28.62 69.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.838 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.7 t -75.18 -42.36 55.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.386 -0.821 . . . . 0.0 110.206 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.13 70.24 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.399 -0.813 . . . . 0.0 110.247 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.66 -11.53 59.87 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.402 -0.811 . . . . 0.0 110.556 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -92.09 -58.13 2.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.266 -0.896 . . . . 0.0 110.184 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.45 -12.27 22.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.36 -0.837 . . . . 0.0 110.529 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.71 28.57 14.34 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.413 ' H ' HG22 ' A' ' 54' ' ' ILE . 16.0 tt -97.86 -23.41 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -1.087 . . . . 0.0 110.251 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.19 125.84 31.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.325 -0.86 . . . . 0.0 110.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 p -112.34 82.79 1.69 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.842 . . . . 0.0 110.173 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 p -143.41 -172.41 3.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.392 -0.817 . . . . 0.0 110.127 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -152.57 76.98 0.22 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 m -112.0 73.17 0.8 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.45 -1.03 . . . . 0.0 110.196 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.48 46.38 1.05 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -0.834 . . . . 0.0 110.089 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -76.19 -62.28 1.66 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.367 -0.833 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.644 ' HB3' ' HB3' ' A' ' 65' ' ' ALA . 2.4 m -95.44 77.94 3.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.337 -0.852 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -67.48 -65.11 0.73 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.382 -0.824 . . . . 0.0 110.119 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.41 -29.12 56.93 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.197 -0.939 . . . . 0.0 109.305 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 62' ' ' SER . . . -61.74 -37.64 84.99 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.742 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.66 -30.74 67.43 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.614 ' O ' HD23 ' A' ' 67' ' ' LEU . 3.4 tt -76.12 -38.26 57.08 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.588 -0.695 . . . . 0.0 109.737 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.6 mptt -83.45 -55.05 4.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.435 -0.791 . . . . 0.0 110.501 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -42.8 67.1 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.232 -0.917 . . . . 0.0 110.633 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.0 m -67.95 -42.21 81.29 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.367 -0.833 . . . . 0.0 110.563 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 tp -84.15 -8.4 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.243 -0.91 . . . . 0.0 110.493 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . 48.3 t -80.47 -49.17 11.77 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.884 . . . . 0.0 109.909 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -81.64 -21.64 38.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.388 -0.82 . . . . 0.0 110.15 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -85.15 -43.46 13.82 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 0.0 110.371 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.01 -43.67 70.91 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.385 -0.822 . . . . 0.0 110.225 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.54 62.94 1.05 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.39 -0.819 . . . . 0.0 110.264 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.42 -66.84 0.05 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -91.57 127.66 37.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.342 -1.093 . . . . 0.0 110.246 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -126.18 38.18 4.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.199 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.24 30.66 9.89 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -167.41 122.98 0.86 Allowed Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.332 -1.099 . . . . 0.0 110.197 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.4 125.62 10.32 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.494 1.26 . . . . 0.0 110.544 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -83.52 75.0 10.05 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.367 -0.833 . . . . 0.0 110.295 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.02 -28.67 69.74 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.312 -0.867 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.5 p -66.92 -29.41 69.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.341 -0.849 . . . . 0.0 110.345 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 t -100.36 35.69 2.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.375 -0.828 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 13.0 mtt -120.35 130.61 54.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.318 -0.864 . . . . 0.0 110.185 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.8 p -72.22 174.99 6.46 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.36 -0.837 . . . . 0.0 110.099 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.94 -27.61 63.55 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.453 -0.78 . . . . 0.0 110.182 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.432 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 2.3 mp0 -84.55 -36.12 22.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.279 -0.888 . . . . 0.0 110.027 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -62.34 1.74 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.29 -0.881 . . . . 0.0 109.852 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -59.18 -29.66 67.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 109.348 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -65.42 -47.01 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.572 -0.705 . . . . 0.0 109.368 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.437 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -58.5 -24.61 60.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.317 -0.865 . . . . 0.0 109.64 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.7 -45.15 19.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.456 -0.777 . . . . 0.0 110.045 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.7 -29.59 59.02 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.489 -0.757 . . . . 0.0 110.375 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.583 ' O ' HD12 ' A' ' 101' ' ' LEU . 3.6 ttm -79.57 -24.04 42.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.261 -0.899 . . . . 0.0 109.702 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -80.01 -28.8 39.38 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.499 -0.751 . . . . 0.0 110.067 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.6 mtt -85.27 -21.39 29.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.385 -0.822 . . . . 0.0 110.435 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.6 p -90.46 -27.84 18.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -0.904 . . . . 0.0 110.467 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 97' ' ' MET . 0.2 OUTLIER -82.87 -23.58 33.58 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.287 -0.883 . . . . 0.0 110.461 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -72.82 -21.28 60.99 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.286 -0.884 . . . . 0.0 110.396 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.03 129.99 4.75 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.84 85.04 2.33 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.356 -1.084 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.73 54.61 0.84 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.371 -0.831 . . . . 0.0 110.105 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -96.8 -69.58 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.373 -0.829 . . . . 0.0 109.982 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -110.54 22.81 21.51 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -116.97 60.43 0.75 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -1.123 . . . . 0.0 110.182 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -166.91 -51.33 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.227 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.39 58.62 4.19 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.328 -0.858 . . . . 0.0 110.184 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.1 p -106.62 149.48 27.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.915 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.209 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.7 t60 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.183 0.516 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.544 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -157.36 -47.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.544 ' CB ' ' O ' ' A' ' 2' ' ' MET . 8.9 tp 79.39 33.23 0.22 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.28 66.44 0.95 Allowed Glycine 0 N--CA 1.481 1.638 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tt -104.8 81.37 1.75 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.327 -1.102 . . . . 0.0 110.208 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.12 25.62 0.7 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -133.38 6.18 3.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.327 -1.102 . . . . 0.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.31 1.05 4.61 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.152 -0.968 . . . . 0.0 110.639 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -68.11 -37.22 80.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 110.06 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -171.45 44.78 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.445 -0.784 . . . . 0.0 110.363 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.87 67.17 0.39 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.425 -0.797 . . . . 0.0 110.259 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -166.26 -61.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.372 -0.83 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.0 47.44 1.05 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.38 -31.78 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.413 -1.051 . . . . 0.0 110.418 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -166.52 136.32 2.53 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.914 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.88 -13.7 34.71 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.563 1.296 . . . . 0.0 110.727 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -63.13 -17.18 62.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.296 -0.877 . . . . 0.0 110.295 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.04 -11.01 60.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.259 -0.9 . . . . 0.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -153.16 113.44 2.68 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 0.0 110.124 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -73.86 -38.07 2.52 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 O-C-N 124.004 1.528 . . . . 0.0 110.378 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.93 -46.27 75.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.391 -0.818 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 22' ' ' LEU . 10.1 mp -69.08 -29.39 67.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.402 -0.811 . . . . 0.0 109.978 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.88 97.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.469 -0.769 . . . . 0.0 110.083 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -68.48 -39.84 81.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 109.999 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -34.98 79.73 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.397 -0.814 . . . . 0.0 109.957 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -71.23 -24.12 62.13 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.334 -0.854 . . . . 0.0 110.2 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -85.22 -30.66 23.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.0 109.492 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 24' ' ' LEU . 94.8 t -75.92 -33.86 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.571 -0.706 . . . . 0.0 109.752 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -41.04 56.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.427 -0.796 . . . . 0.0 109.902 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.6 ttt -65.41 -35.26 80.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 0.0 109.794 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -33.95 62.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.813 . . . . 0.0 110.057 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -49.1 76.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.349 -0.844 . . . . 0.0 109.923 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.82 -35.75 80.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.426 -0.796 . . . . 0.0 109.86 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -67.74 -40.26 84.17 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.479 -0.763 . . . . 0.0 110.055 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.04 -40.37 93.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.404 -0.81 . . . . 0.0 110.059 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -71.19 -39.75 71.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.498 -0.751 . . . . 0.0 109.982 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.66 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -73.35 -26.06 60.86 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.342 -0.849 . . . . 0.0 109.992 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -83.87 -58.08 2.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.429 -0.794 . . . . 0.0 109.416 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -32.71 29.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.56 -0.712 . . . . 0.0 109.266 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -84.64 -33.88 23.18 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.21 -52.61 58.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.422 -0.799 . . . . 0.0 109.59 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 28.2 ptt180 -65.38 -30.82 71.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.391 -0.818 . . . . 0.0 109.497 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -44.38 69.28 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.429 -0.794 . . . . 0.0 109.234 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.83 -23.78 58.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.579 -0.701 . . . . 0.0 109.368 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.547 ' O ' ' HB2' ' A' ' 49' ' ' ALA . . . -70.1 -33.99 72.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.456 -0.777 . . . . 0.0 110.016 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.48 -44.2 16.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.307 -0.871 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.71 78.7 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.424 -0.797 . . . . 0.0 110.091 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -84.4 -29.43 26.19 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.274 -0.891 . . . . 0.0 110.129 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 45' ' ' ALA . . . -61.37 -34.75 75.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -0.832 . . . . 0.0 110.222 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.43 -24.73 39.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.361 -0.837 . . . . 0.0 110.238 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -97.01 -67.94 0.82 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.401 -0.812 . . . . 0.0 110.315 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.4 29.86 3.44 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.405 -0.809 . . . . 0.0 110.333 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.78 -17.62 4.6 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.45 -21.89 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.051 -1.264 . . . . 0.0 110.706 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.33 179.66 7.62 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.197 -0.939 . . . . 0.0 110.424 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.5 t -136.15 144.77 45.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.475 -0.765 . . . . 0.0 110.177 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.8 p -130.2 6.19 4.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.409 -0.807 . . . . 0.0 110.572 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.15 97.92 0.13 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.1 m -72.56 79.21 1.06 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -1.104 . . . . 0.0 110.151 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.66 78.49 0.7 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.375 -0.828 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.21 -54.92 22.23 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.321 -0.862 . . . . 0.0 110.15 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.491 ' OG ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -127.24 69.25 1.29 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.191 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -66.85 -36.16 81.7 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.346 -0.846 . . . . 0.0 110.48 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -76.17 -28.95 57.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 0.0 109.323 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB2' ' OG ' ' A' ' 62' ' ' SER . . . -61.91 -43.82 98.06 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.953 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -30.01 70.5 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.75 -0.834 . . . . 0.0 108.75 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.473 HD23 ' HD3' ' A' ' 68' ' ' LYS . 8.0 tt -73.37 -44.63 58.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.528 -0.733 . . . . 0.0 109.78 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.473 ' HD3' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -79.96 -56.59 4.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.47 -0.769 . . . . 0.0 110.235 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.7 ttt -48.54 -39.72 24.47 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.342 -0.849 . . . . 0.0 110.778 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.2 m -70.6 -40.58 73.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.378 -0.826 . . . . 0.0 110.463 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.2 tp -81.5 -16.46 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.052 -1.03 . . . . 0.0 110.053 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -73.88 -39.05 64.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.286 -0.884 . . . . 0.0 109.553 179.401 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -82.13 -23.13 35.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.55 -0.718 . . . . 0.0 110.112 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -89.93 -31.59 17.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.307 -0.871 . . . . 0.0 110.174 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -78.29 -32.56 49.47 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -0.879 . . . . 0.0 110.328 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.52 116.53 3.42 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.331 -0.855 . . . . 0.0 110.41 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.8 -52.61 44.05 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.45 106.77 17.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -1.075 . . . . 0.0 110.047 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -122.59 40.53 3.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.414 -0.804 . . . . 0.0 110.265 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' LEU . . . -105.98 32.16 7.66 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.636 HD12 ' C ' ' A' ' 80' ' ' GLY . 4.9 mp -144.71 101.36 4.62 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.29 -1.123 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -73.32 -9.22 22.91 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 O-C-N 123.702 1.369 . . . . 0.0 110.673 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 53.31 90.22 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.179 -0.951 . . . . 0.0 110.457 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.86 -23.7 66.44 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.344 -0.848 . . . . 0.0 110.251 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.3 p -60.72 -26.37 67.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.364 -0.835 . . . . 0.0 110.261 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 m -106.15 37.43 2.28 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.324 -0.86 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 18.6 mtt -112.61 137.24 51.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.421 -0.799 . . . . 0.0 110.135 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.6 p -75.89 171.57 14.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.444 -0.785 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.21 -29.84 64.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.395 -0.816 . . . . 0.0 110.282 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 19.4 mt-10 -83.53 -34.83 25.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.341 -0.849 . . . . 0.0 109.884 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.86 -62.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.382 -0.824 . . . . 0.0 109.859 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.54 -29.85 69.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.415 -0.803 . . . . 0.0 109.516 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.44 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -66.85 -40.74 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.596 -0.69 . . . . 0.0 109.463 179.47 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.15 -29.67 70.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.435 -0.791 . . . . 0.0 109.632 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -84.73 -40.87 16.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.448 -0.782 . . . . 0.0 109.95 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.32 -29.03 61.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.356 -0.84 . . . . 0.0 110.136 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.6 tpt -82.61 -26.49 32.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.326 -0.859 . . . . 0.0 109.778 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.15 -41.39 67.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.379 -0.826 . . . . 0.0 110.005 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.4 tpp -75.19 -27.59 59.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.365 -0.834 . . . . 0.0 110.169 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.9 t -71.57 -27.39 63.12 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.4 -0.812 . . . . 0.0 110.284 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.7 tp -93.9 46.21 1.17 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 110.197 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -165.36 -70.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.333 -0.855 . . . . 0.0 110.101 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.07 104.99 0.28 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.19 116.86 4.07 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.413 -1.051 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.14 -136.04 0.25 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.324 -0.86 . . . . 0.0 109.846 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.84 86.26 2.53 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.99 -1.069 . . . . 0.0 110.245 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.35 35.19 5.19 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -86.23 60.05 6.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.402 -1.058 . . . . 0.0 110.199 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -154.35 112.49 3.53 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.177 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.14 -53.51 0.91 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.328 -0.857 . . . . 0.0 110.138 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 t -128.87 139.54 52.1 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 110.143 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.186 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.212 0.53 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.548 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -168.3 -41.0 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.29 -0.881 . . . . 0.0 110.203 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.548 ' CB ' ' O ' ' A' ' 2' ' ' MET . 1.3 tp 79.59 36.24 0.15 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.07 80.39 0.48 Allowed Glycine 0 N--CA 1.481 1.674 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt -95.29 25.81 4.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.328 -1.101 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.14 -40.17 0.38 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -32.01 72.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.322 -1.105 . . . . 0.0 110.327 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -99.08 31.75 2.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.297 -0.877 . . . . 0.0 110.213 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -92.5 -2.93 55.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.837 . . . . 0.0 110.574 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -90.33 3.37 53.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.15 -0.969 . . . . 0.0 110.62 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 2.3 tt0 -57.26 115.27 2.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.212 -0.93 . . . . 0.0 110.191 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 44.4 p90 35.51 35.17 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.225 0.536 . . . . 0.0 111.505 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.35 -9.49 19.58 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -126.38 -34.01 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.137 -1.214 . . . . 0.0 110.46 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -148.22 148.05 28.0 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.243 -0.911 . . . . 0.0 110.241 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.71 -17.54 33.2 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.774 1.407 . . . . 0.0 110.657 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -16.6 58.91 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.242 -0.911 . . . . 0.0 110.387 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.64 -29.33 64.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.245 -0.91 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.17 118.66 0.74 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.0 110.032 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.85 -29.22 12.63 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 123.973 1.512 . . . . 0.0 110.415 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -43.23 93.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.329 -0.857 . . . . 0.0 109.887 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.66 -27.94 64.41 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.39 -0.819 . . . . 0.0 109.982 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.92 -52.86 61.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.416 -0.803 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.79 -38.06 85.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 110.165 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.503 ' O ' HG12 ' A' ' 28' ' ' VAL . . . -52.5 -39.34 61.15 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.302 -0.874 . . . . 0.0 110.463 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' A' ' 26' ' ' LEU . 28.4 tp -80.71 -21.32 41.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.164 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.6 -32.69 31.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 0.0 109.157 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 25' ' ' ALA . 14.2 p -77.51 -25.42 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.602 -0.686 . . . . 0.0 109.852 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -48.85 13.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.485 -0.759 . . . . 0.0 110.049 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -28.48 69.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.46 -0.775 . . . . 0.0 110.176 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -75.94 -41.5 51.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.326 -0.859 . . . . 0.0 110.397 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.31 -53.31 59.22 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.248 -0.907 . . . . 0.0 110.337 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.96 -30.2 68.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.363 -0.836 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -51.43 62.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.118 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -56.95 -33.77 67.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.433 -0.792 . . . . 0.0 110.229 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -57.23 8.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.0 110.036 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.647 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 9.2 tt0 -72.65 -17.37 61.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.398 -0.814 . . . . 0.0 110.282 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -83.92 -59.91 2.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.333 -0.854 . . . . 0.0 109.634 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -50.91 -31.65 18.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.439 -0.788 . . . . 0.0 109.349 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -84.27 -35.33 23.45 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -65.8 -55.35 17.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.468 -0.77 . . . . 0.0 109.71 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 27.5 ptt180 -63.44 -31.97 73.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.815 . . . . 0.0 109.677 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -47.32 70.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.419 -0.801 . . . . 0.0 109.284 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.51 58.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.487 -0.758 . . . . 0.0 109.235 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -63.8 -32.45 73.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.503 -0.748 . . . . 0.0 110.013 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.82 -27.43 22.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.44 -0.787 . . . . 0.0 110.168 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.49 -21.59 55.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.39 -0.819 . . . . 0.0 110.288 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.6 -33.39 8.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.285 -0.884 . . . . 0.0 110.359 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.93 69.23 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.408 -0.808 . . . . 0.0 110.344 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.08 27.34 5.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.303 -0.873 . . . . 0.0 110.209 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -153.85 -47.3 0.09 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.355 -0.84 . . . . 0.0 110.13 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.92 17.86 22.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.328 -0.858 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.83 -44.61 0.2 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.514 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.1 pp -83.57 57.19 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.382 -1.07 . . . . 0.0 110.211 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.21 -172.84 0.11 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.294 -0.879 . . . . 0.0 110.257 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.6 p -94.71 70.32 3.49 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.362 -0.836 . . . . 0.0 110.228 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.6 p -150.0 164.54 35.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.375 -0.828 . . . . 0.0 110.174 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -167.33 34.54 0.21 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.4 p -131.25 75.95 1.69 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.36 -1.083 . . . . 0.0 110.21 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -117.46 85.55 2.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.3 -0.875 . . . . 0.0 110.242 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.68 -41.1 63.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.336 -0.853 . . . . 0.0 110.079 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.513 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 22.3 m -118.5 84.19 2.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.377 -0.827 . . . . 0.0 110.208 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -57.88 -30.39 65.8 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.382 -0.824 . . . . 0.0 110.47 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -76.62 -30.09 56.76 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.144 -0.972 . . . . 0.0 109.356 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HB2' ' HB3' ' A' ' 62' ' ' SER . . . -61.89 -44.53 96.61 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.515 -0.874 . . . . 0.0 108.868 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.6 -28.65 69.77 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' C ' HD23 ' A' ' 67' ' ' LEU . 10.1 tt -76.38 -41.04 49.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.591 -0.693 . . . . 0.0 109.981 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -53.85 5.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.522 -0.736 . . . . 0.0 110.586 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.2 mtt -53.57 -41.36 66.43 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.119 -0.988 . . . . 0.0 110.597 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.8 m -69.95 -37.84 75.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.264 -0.898 . . . . 0.0 110.699 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 tp -84.2 -17.59 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.063 -1.023 . . . . 0.0 110.209 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -37.49 64.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.732 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -89.15 -23.15 22.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.449 -0.782 . . . . 0.0 110.169 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -88.32 -40.13 13.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.836 . . . . 0.0 110.308 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -80.05 -33.94 38.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.274 -0.891 . . . . 0.0 110.233 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -119.23 97.91 5.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.341 -0.849 . . . . 0.0 110.188 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.03 -55.97 0.01 OUTLIER Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -96.2 103.02 14.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -1.088 . . . . 0.0 110.099 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -151.89 49.83 0.79 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.458 -0.777 . . . . 0.0 110.19 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.91 64.72 2.38 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -165.85 97.58 0.77 Allowed Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.362 -1.081 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.63 -8.47 22.54 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.692 1.364 . . . . 0.0 110.778 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.77 99.7 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.228 -0.92 . . . . 0.0 110.293 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.9 mt -99.52 -22.44 15.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.357 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.7 m -59.81 -29.82 68.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.302 -0.874 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -97.94 28.94 3.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.38 -0.825 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.9 mtt -122.41 141.67 51.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.44 -0.787 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.409 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 61.9 p -76.73 177.72 7.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -0.861 . . . . 0.0 110.18 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.84 -33.33 71.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.383 -0.823 . . . . 0.0 110.24 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 7.4 mp0 -80.92 -34.67 33.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.029 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.409 ' HB2' ' N ' ' A' ' 88' ' ' THR . 2.3 mm-40 -55.22 -61.94 1.99 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.325 -0.859 . . . . 0.0 109.899 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -60.16 -29.34 68.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.366 -0.834 . . . . 0.0 109.528 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.5 OUTLIER -67.93 -39.7 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.524 -0.735 . . . . 0.0 109.551 179.636 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.67 -28.26 69.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.322 -0.861 . . . . 0.0 109.737 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -85.03 -34.25 22.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.463 -0.773 . . . . 0.0 110.138 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.27 -30.47 30.63 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.413 -0.804 . . . . 0.0 110.466 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.4 ttt -83.7 -33.4 25.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.237 -0.915 . . . . 0.0 109.634 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -70.63 -39.98 73.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.507 -0.745 . . . . 0.0 109.887 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.2 mtp -77.29 -22.88 51.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.447 -0.783 . . . . 0.0 110.159 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.4 t -70.72 -41.44 71.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.321 -0.862 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.64 -14.38 52.03 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.298 -0.876 . . . . 0.0 110.591 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -104.13 -43.55 5.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.266 -0.896 . . . . 0.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.58 121.29 1.47 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -116.21 90.43 3.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.377 -1.073 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -128.23 -60.64 1.12 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.346 -0.847 . . . . 0.0 110.238 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -104.1 -51.21 3.19 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.39 -0.818 . . . . 0.0 110.235 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.57 -76.17 0.25 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.25 79.19 1.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -1.09 . . . . 0.0 110.174 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.41 26.84 6.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.351 -0.843 . . . . 0.0 110.234 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -119.05 48.84 1.4 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 0.0 110.197 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -100.9 30.34 4.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.448 -0.782 . . . . 0.0 110.171 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.185 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 37.1 m80 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.181 0.515 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.2 ttp 52.68 -163.17 0.09 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.386 -0.821 . . . . 0.0 110.426 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.0 25.29 11.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.429 -0.794 . . . . 0.0 109.409 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.75 56.46 3.0 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.46 -61.3 1.89 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.424 -1.044 . . . . 0.0 110.203 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.81 109.15 2.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.2 -4.25 49.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.395 -1.062 . . . . 0.0 110.599 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.427 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 1.4 t -61.07 -18.95 60.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.145 -0.972 . . . . 0.0 110.5 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.83 -36.86 75.22 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.231 -0.918 . . . . 0.0 110.442 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 84.5 t80 -103.71 8.82 37.34 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.293 -0.879 . . . . 0.0 110.392 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 8' ' ' SER . 15.5 tp10 -70.27 72.17 0.45 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.097 -1.002 . . . . 0.0 110.185 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 53.54 23.38 3.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.41 -0.806 . . . . 0.0 110.658 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.36 -13.92 40.18 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.0 t -80.64 -15.85 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.256 -1.143 . . . . 0.0 110.394 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.547 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -61.9 -179.64 0.23 Allowed Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.197 -0.94 . . . . 0.0 110.03 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.796 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 37.0 Cg_endo -61.09 78.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.298 0 O-C-N 123.663 1.349 . . . . 0.0 110.689 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER 69.67 47.31 0.65 Allowed 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 -179.393 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 43.18 29.68 0.23 Allowed 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.768 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.18 117.77 0.92 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.284 -0.885 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -75.08 -36.56 2.43 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 O-C-N 124.007 1.53 . . . . 0.0 110.299 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.46 -39.73 84.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.465 -0.772 . . . . 0.0 110.116 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -33.11 72.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.375 -0.828 . . . . 0.0 109.869 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.796 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . . . -61.87 -48.01 82.45 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.406 -0.809 . . . . 0.0 110.133 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.9 mm? -67.74 -28.53 67.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.378 -0.826 . . . . 0.0 110.132 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.72 84.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.337 -0.852 . . . . 0.0 110.191 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.44 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -72.36 -21.56 61.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.3 -0.875 . . . . 0.0 110.279 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -29.88 35.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.895 . . . . 0.0 109.305 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 24' ' ' LEU . 64.1 t -81.5 -27.18 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.561 -0.712 . . . . 0.0 109.839 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.3 m -76.63 -36.87 57.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.535 -0.728 . . . . 0.0 110.099 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.1 ttp -76.0 -28.14 57.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.22 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -33.97 51.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.355 -0.84 . . . . 0.0 110.063 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.87 -43.34 68.61 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.359 -0.838 . . . . 0.0 110.106 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -67.62 -28.33 67.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.521 -0.737 . . . . 0.0 110.053 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -47.94 18.5 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.206 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -59.8 -45.3 92.77 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 0.0 110.108 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -64.74 -46.44 82.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.839 . . . . 0.0 109.999 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.7 mm100 -72.8 -22.12 60.87 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 110.171 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -83.93 -63.02 1.42 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.485 -0.759 . . . . 0.0 109.601 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.79 -31.08 25.61 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.263 -0.898 . . . . 0.0 109.344 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -81.45 -38.59 26.17 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.622 -0.674 . . . . 0.0 109.4 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -73.29 -56.67 4.77 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.35 -0.844 . . . . 0.0 109.894 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -51.94 -41.29 61.92 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.478 -0.764 . . . . 0.0 110.269 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -60.65 -42.48 97.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.45 -0.781 . . . . 0.0 110.048 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.35 -32.06 73.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.44 -0.787 . . . . 0.0 109.97 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.4 -36.79 53.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -0.793 . . . . 0.0 110.133 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.9 95.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.347 -0.845 . . . . 0.0 110.151 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.02 -28.23 63.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -0.862 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 t -64.41 -62.86 1.34 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.367 -0.833 . . . . 0.0 110.154 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.22 68.77 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.415 -0.803 . . . . 0.0 110.182 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.21 -23.9 57.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.363 -0.836 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.78 -30.29 62.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.317 -0.864 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.15 33.76 3.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.263 -0.898 . . . . 0.0 110.286 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -134.28 -49.07 0.08 OUTLIER Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 54' ' ' ILE . 5.0 tp -140.81 85.96 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.438 -1.037 . . . . 0.0 109.967 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.13 20.51 16.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 0.0 110.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 p -79.67 139.83 37.25 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.308 -0.87 . . . . 0.0 110.093 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -125.27 -172.08 2.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.301 -0.874 . . . . 0.0 110.324 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.93 -127.49 2.06 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 59' ' ' THR . 6.1 t -169.05 77.06 0.11 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.357 -1.084 . . . . 0.0 110.239 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.72 66.5 0.9 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.312 -0.868 . . . . 0.0 110.374 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.04 -61.4 2.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.371 -0.831 . . . . 0.0 110.09 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.773 ' HB3' ' HB3' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -122.46 79.4 1.61 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.854 . . . . 0.0 110.062 179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -73.57 -45.7 51.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.412 -0.805 . . . . 0.0 110.381 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.04 -31.88 50.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.18 -0.95 . . . . 0.0 109.367 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.773 ' HB3' ' HB3' ' A' ' 62' ' ' SER . . . -61.19 -37.49 83.15 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.496 -0.881 . . . . 0.0 108.706 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 tp -70.17 -30.48 67.63 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 67' ' ' LEU . 4.0 tt -76.75 -35.44 57.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.581 -0.699 . . . . 0.0 109.706 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HA ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -84.39 -55.33 4.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.45 -0.781 . . . . 0.0 110.408 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.0 tpt -53.73 -44.67 70.07 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.196 -0.94 . . . . 0.0 110.498 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.1 m -66.72 -42.79 85.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.298 -0.876 . . . . 0.0 110.511 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 68' ' ' LYS . 5.5 tp -82.95 -8.48 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.187 -0.946 . . . . 0.0 110.433 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' LYS . 26.1 t -81.21 -37.82 28.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.29 -0.881 . . . . 0.0 109.842 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -89.04 -21.94 23.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.494 -0.754 . . . . 0.0 110.307 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.89 -39.37 12.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.276 -0.89 . . . . 0.0 110.365 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -81.16 -32.88 33.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.247 -0.908 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -128.66 56.17 1.67 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.322 -0.861 . . . . 0.0 110.197 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.22 -39.43 0.55 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.09 88.45 1.92 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.311 -1.111 . . . . 0.0 110.293 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 79' ' ' THR . 8.7 t -147.26 70.37 1.18 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.48 -0.763 . . . . 0.0 110.277 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.25 47.07 3.28 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.26 94.36 1.11 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.394 -1.063 . . . . 0.0 110.168 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.11 -31.89 11.55 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 O-C-N 123.689 1.363 . . . . 0.0 110.416 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t0 60.24 112.56 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.406 -0.809 . . . . 0.0 110.468 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.582 HD23 ' HE3' ' A' ' 87' ' ' MET . 17.4 mt -65.16 -36.83 85.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.334 -0.854 . . . . 0.0 110.262 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.1 p -60.92 -30.97 70.52 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.267 -0.895 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.1 m -97.23 33.68 1.92 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.391 -0.818 . . . . 0.0 110.114 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.582 ' HE3' HD23 ' A' ' 84' ' ' LEU . 6.7 mtm -129.74 121.25 26.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.834 . . . . 0.0 110.248 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.7 p -66.55 -178.42 0.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.41 -0.806 . . . . 0.0 110.284 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.68 -35.46 76.33 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.38 -0.825 . . . . 0.0 110.197 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 17.7 mt-10 -80.12 -32.65 39.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 110.041 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.04 -61.97 2.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.263 -0.898 . . . . 0.0 109.774 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.405 ' OE1' HD22 ' A' ' 84' ' ' LEU . 31.8 mt-30 -59.7 -25.43 64.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.374 -0.829 . . . . 0.0 109.603 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.6 OUTLIER -71.77 -44.83 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.426 -0.796 . . . . 0.0 109.626 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.41 69.99 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.284 -0.885 . . . . 0.0 109.559 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -82.41 -50.48 8.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.528 -0.733 . . . . 0.0 109.829 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.51 73.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.483 -0.76 . . . . 0.0 109.964 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.493 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.1 ttm -77.26 -25.61 51.66 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.321 -0.862 . . . . 0.0 109.548 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -43.66 98.36 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.506 -0.747 . . . . 0.0 110.017 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.8 mtt -76.52 -34.58 58.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.437 -0.789 . . . . 0.0 110.13 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -23.92 67.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.381 -0.824 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 97' ' ' MET . 0.5 OUTLIER -59.49 -41.59 90.18 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -107.46 -28.54 9.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.319 -0.863 . . . . 0.0 110.213 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -99.93 86.95 0.7 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -166.96 104.67 0.56 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.381 -1.07 . . . . 0.0 110.182 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 51.92 90.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.329 -0.857 . . . . 0.0 110.472 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -130.19 -52.45 1.11 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.398 -0.814 . . . . 0.0 110.131 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 87.75 178.8 47.8 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.25 59.96 0.34 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.432 -1.04 . . . . 0.0 110.142 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -145.33 32.66 1.08 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.335 -0.853 . . . . 0.0 110.19 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.39 51.27 1.37 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.317 -0.864 . . . . 0.0 110.122 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m -77.41 -54.79 6.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.394 -0.816 . . . . 0.0 110.221 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.203 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.16 0.505 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.25 -178.3 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.344 -0.848 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mp -111.69 24.12 13.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.37 -0.831 . . . . 0.0 109.518 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.25 56.78 2.07 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.85 -64.4 0.97 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.403 -1.057 . . . . 0.0 110.401 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.35 124.43 1.14 Allowed Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.82 31.57 3.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.32 -1.106 . . . . 0.0 110.184 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 p -148.48 23.74 1.01 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 110.248 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.97 -22.24 36.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.56 113.28 6.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.375 -0.828 . . . . 0.0 109.963 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -95.23 146.39 24.37 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.39 -0.819 . . . . 0.0 109.653 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.588 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 12.5 t80 56.91 15.86 2.49 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.425 -0.797 . . . . 0.0 110.128 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.46 23.07 7.25 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 14' ' ' VAL . 51.5 t -105.12 24.11 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.41 -1.053 . . . . 0.0 110.231 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.403 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -62.95 174.96 0.72 Allowed Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.241 -0.912 . . . . 0.0 109.981 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 45.2 Cg_endo -71.51 -20.48 27.14 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.6 1.316 . . . . 0.0 110.74 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -13.09 61.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.295 -0.878 . . . . 0.0 110.508 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.5 -8.06 57.2 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.191 -0.943 . . . . 0.0 110.598 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.27 122.37 0.67 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 110.009 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -76.32 -36.36 1.84 Allowed 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.968 1.509 . . . . 0.0 110.457 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.99 -35.03 77.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.352 -0.842 . . . . 0.0 109.996 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -31.49 59.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.816 . . . . 0.0 110.098 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.79 -29.53 64.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.319 -0.863 . . . . 0.0 109.942 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 28' ' ' VAL . 31.3 tp -76.05 -39.92 54.48 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.429 -0.794 . . . . 0.0 109.956 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.45 77.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.418 -0.801 . . . . 0.0 110.125 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -22.6 39.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.346 -0.846 . . . . 0.0 110.173 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -86.6 -26.87 24.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.275 -0.89 . . . . 0.0 109.775 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 24' ' ' LEU . 88.8 t -81.66 -29.63 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.449 -0.782 . . . . 0.0 109.97 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.2 m -81.67 -45.21 16.06 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.438 -0.789 . . . . 0.0 110.144 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.0 tpt -68.22 -41.23 81.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.486 -0.759 . . . . 0.0 110.163 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -66.14 -36.42 83.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.397 -0.814 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.12 -39.93 95.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.354 -0.842 . . . . 0.0 110.238 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.79 -39.99 87.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.33 -0.856 . . . . 0.0 110.269 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -37.34 81.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.395 -0.816 . . . . 0.0 110.202 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.53 -45.9 92.13 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.378 -0.826 . . . . 0.0 110.228 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -69.86 -34.3 73.42 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.273 -0.892 . . . . 0.0 110.202 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.692 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -78.58 -28.17 45.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.843 . . . . 0.0 110.165 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -83.99 -58.71 2.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.484 -0.76 . . . . 0.0 109.663 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -52.54 -31.77 37.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.474 -0.766 . . . . 0.0 109.439 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -84.55 -34.07 23.33 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.84 -53.78 41.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.468 -0.77 . . . . 0.0 109.662 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.522 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.5 ptt180 -65.97 -31.15 71.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.365 -0.834 . . . . 0.0 109.662 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -46.3 70.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.44 -0.787 . . . . 0.0 109.452 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.02 61.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.557 -0.715 . . . . 0.0 109.441 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -64.18 -32.35 73.9 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.478 -0.764 . . . . 0.0 110.048 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.62 -37.73 20.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.367 -0.833 . . . . 0.0 110.21 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.03 -29.16 68.89 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.382 -0.824 . . . . 0.0 110.227 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.07 -27.5 23.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 110.188 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.58 -29.05 51.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.192 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.55 -1.18 40.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.322 -0.861 . . . . 0.0 110.547 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.71 -31.83 69.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.187 -0.945 . . . . 0.0 110.182 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.1 -15.39 8.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.388 -0.82 . . . . 0.0 110.706 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.59 -41.5 12.99 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 mm -86.25 83.69 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.362 -1.081 . . . . 0.0 110.186 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -146.74 -164.33 1.96 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.416 -0.802 . . . . 0.0 110.137 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -122.32 115.28 22.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.283 -0.886 . . . . 0.0 110.222 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -122.29 43.19 2.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 110.256 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.15 -48.33 0.02 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -122.84 78.4 1.54 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.366 -1.079 . . . . 0.0 110.228 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' SER . 2.3 tm-20 -90.98 49.45 1.65 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 110.417 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 63' ' ' ASP . 4.3 m-20 -56.63 97.22 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' GLU . 38.9 m -50.52 81.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.661 0.744 . . . . 0.0 110.516 -177.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' A' ' 61' ' ' ASP . 20.9 t70 -46.84 -29.92 2.22 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.124 0.488 . . . . 0.0 110.749 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -78.53 -33.73 47.73 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.277 -0.889 . . . . 0.0 109.112 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.35 81.96 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.518 -0.873 . . . . 0.0 108.719 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.14 -30.46 68.71 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.23 -37.73 57.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.545 -0.722 . . . . 0.0 109.465 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -79.39 -54.84 5.54 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.561 -0.712 . . . . 0.0 110.358 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 37.7 mtm -52.15 -40.3 61.19 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.182 -0.949 . . . . 0.0 110.628 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.8 m -67.67 -42.03 82.81 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.342 -0.848 . . . . 0.0 110.545 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 tp -85.21 -13.11 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.18 -0.95 . . . . 0.0 110.418 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.4 t -76.43 -36.74 57.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.205 -0.934 . . . . 0.0 109.759 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -89.99 -25.72 20.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.451 -0.781 . . . . 0.0 110.053 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -84.22 -39.28 19.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.434 -0.791 . . . . 0.0 110.194 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.54 -44.05 19.7 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.27 -0.894 . . . . 0.0 110.24 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.68 86.66 0.93 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.311 -0.868 . . . . 0.0 110.216 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.97 58.36 1.05 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.97 101.49 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.414 -1.051 . . . . 0.0 110.446 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -125.43 59.84 1.25 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.349 -0.844 . . . . 0.0 110.166 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -114.1 32.91 5.7 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -165.93 99.25 0.74 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.337 -1.096 . . . . 0.0 110.29 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.07 -10.91 26.67 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.639 1.336 . . . . 0.0 110.641 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 52.25 92.82 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.207 -0.933 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp -86.08 -28.4 24.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.316 -0.865 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 p -61.39 -32.43 72.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.328 -0.857 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.6 p -98.9 27.42 4.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.366 -0.834 . . . . 0.0 110.21 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 mtt -115.5 125.23 52.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.366 -0.834 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.412 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 69.0 p -67.39 179.31 1.3 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.428 -0.795 . . . . 0.0 110.187 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -60.08 -36.08 76.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.392 -0.817 . . . . 0.0 110.243 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 16.5 mt-10 -79.04 -33.34 44.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.868 . . . . 0.0 110.119 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.412 ' HB2' ' N ' ' A' ' 88' ' ' THR . 2.1 mm-40 -56.64 -61.51 2.37 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.304 -0.873 . . . . 0.0 110.001 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.7 -22.9 65.74 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.424 -0.798 . . . . 0.0 109.811 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.5 OUTLIER -74.03 -45.17 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.442 -0.786 . . . . 0.0 109.83 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.01 -31.33 70.95 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.25 -0.906 . . . . 0.0 109.758 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.4 -49.73 7.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -0.759 . . . . 0.0 110.019 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.6 77.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.437 -0.789 . . . . 0.0 110.013 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.9 ttp -81.02 -25.39 37.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.354 -0.841 . . . . 0.0 109.785 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.77 -42.18 97.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.514 -0.741 . . . . 0.0 109.979 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 36.8 mtt -82.8 -27.5 30.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.388 -0.82 . . . . 0.0 110.233 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 t -73.31 -21.2 60.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.258 -0.901 . . . . 0.0 110.515 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 61.99 2.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.269 -0.895 . . . . 0.0 110.269 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 51.83 85.22 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.3 -0.875 . . . . 0.0 110.485 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.88 -53.41 2.23 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.08 74.27 3.0 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.444 -1.033 . . . . 0.0 110.289 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -92.07 -48.34 6.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.345 -0.847 . . . . 0.0 110.136 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -152.39 -62.49 0.16 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.366 -0.834 . . . . 0.0 110.186 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -135.61 -151.15 6.12 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -116.08 75.08 0.93 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.36 -1.082 . . . . 0.0 110.115 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -118.48 76.5 1.09 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.36 -0.838 . . . . 0.0 110.247 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -68.01 -31.66 71.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.368 -0.832 . . . . 0.0 110.115 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.3 p -92.37 50.1 1.58 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.381 -0.824 . . . . 0.0 110.221 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.197 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.285 0.564 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.565 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -107.82 -28.86 9.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.315 -0.866 . . . . 0.0 110.171 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.565 ' CB ' ' O ' ' A' ' 2' ' ' MET . 1.8 tp 79.67 35.15 0.16 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -178.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.12 68.49 0.85 Allowed Glycine 0 N--CA 1.48 1.58 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -134.55 -47.42 0.75 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.331 -1.099 . . . . 0.0 110.188 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.92 73.1 1.36 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.41 -55.7 2.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.33 -1.1 . . . . 0.0 110.236 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.2 p -113.43 -19.16 11.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.356 -0.84 . . . . 0.0 110.461 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.82 -28.42 66.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.29 -0.881 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CD2' HG11 ' A' ' 14' ' ' VAL . 1.6 m-85 -92.79 85.12 5.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.347 -0.846 . . . . 0.0 110.125 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -148.72 58.28 1.05 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.42 -0.8 . . . . 0.0 110.168 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -164.43 -55.14 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.323 -0.861 . . . . 0.0 110.081 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.46 33.31 5.45 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.573 HG11 ' CD2' ' A' ' 10' ' ' PHE . 34.2 m -116.63 -25.63 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.403 -1.057 . . . . 0.0 110.405 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.54 173.27 0.17 Allowed Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.335 -0.853 . . . . 0.0 110.356 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.95 -18.01 36.38 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 O-C-N 123.724 1.381 . . . . 0.0 110.388 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -66.53 -23.76 66.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.151 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.31 -19.65 56.07 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.29 -0.881 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.6 119.88 0.73 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.307 -0.871 . . . . 0.0 109.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.37 -38.35 2.67 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 O-C-N 123.943 1.496 . . . . 0.0 110.407 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -39.54 92.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.355 -0.84 . . . . 0.0 109.961 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.04 -31.95 72.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.396 -0.815 . . . . 0.0 110.041 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.26 -51.5 56.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.331 -0.856 . . . . 0.0 110.185 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -39.24 84.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.87 . . . . 0.0 110.115 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.39 71.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.341 -0.849 . . . . 0.0 110.091 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -72.4 -23.59 61.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.359 -0.838 . . . . 0.0 110.221 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -80.45 -28.76 37.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.851 . . . . 0.0 109.167 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.9 t -77.67 -29.84 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.619 -0.676 . . . . 0.0 109.64 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.414 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 5.9 m -76.61 -35.68 57.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.485 -0.759 . . . . 0.0 110.125 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -43.05 74.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.352 -0.843 . . . . 0.0 109.954 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -39.4 94.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.364 -0.835 . . . . 0.0 110.002 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -42.85 99.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.322 -0.862 . . . . 0.0 109.989 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 29' ' ' SER . 1.8 mt-30 -60.33 -32.23 71.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.085 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -45.55 77.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.446 -0.784 . . . . 0.0 109.89 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -29.64 66.48 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.44 -0.787 . . . . 0.0 109.995 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -87.22 -41.65 13.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.478 -0.764 . . . . 0.0 110.065 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.697 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -61.02 -30.57 70.38 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.03 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -83.97 -58.98 2.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.473 -0.767 . . . . 0.0 109.779 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -52.32 -34.03 45.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.493 -0.755 . . . . 0.0 109.305 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -82.15 -33.42 29.57 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -65.77 -50.82 63.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.382 -0.824 . . . . 0.0 109.77 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 8.2 ptt180 -67.99 -32.55 73.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.453 -0.78 . . . . 0.0 109.769 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -47.89 69.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.0 109.302 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.73 -23.1 53.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.561 -0.712 . . . . 0.0 109.179 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 42' ' ' ARG . . . -65.69 -31.71 72.87 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.486 -0.759 . . . . 0.0 109.989 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.84 -38.91 16.35 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.407 -0.808 . . . . 0.0 110.152 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.4 -26.52 68.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.443 -0.785 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -90.54 -29.27 17.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.379 -0.826 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 -35.96 69.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.294 -0.879 . . . . 0.0 110.174 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.52 -23.14 56.66 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.349 -0.844 . . . . 0.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.6 tt0 -82.25 -26.53 33.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.401 -0.812 . . . . 0.0 110.268 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.18 -28.0 9.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.239 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.3 -71.95 1.16 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -80.49 -70.33 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.406 -1.055 . . . . 0.0 110.179 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' GLU . . . 51.73 -165.11 0.06 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.309 -0.869 . . . . 0.0 110.489 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.7 p -110.04 -173.65 2.31 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.369 -0.832 . . . . 0.0 110.171 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 57' ' ' THR . 8.2 t -151.81 127.95 10.47 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.34 -0.85 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.94 133.59 2.87 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -95.93 61.79 2.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -1.097 . . . . 0.0 110.208 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.3 tt0 -103.06 46.74 0.91 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 0.0 110.449 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -56.21 97.07 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.21 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.416 ' OG ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -50.75 79.01 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.634 0.73 . . . . 0.0 110.756 -177.793 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 61' ' ' ASP . 20.7 t0 -70.16 -32.21 70.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.74 -0.6 . . . . 0.0 110.438 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -79.35 -34.39 42.13 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.202 -0.937 . . . . 0.0 109.392 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' HB2' ' OG ' ' A' ' 62' ' ' SER . . . -60.63 -37.07 80.25 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.76 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.6 -29.99 66.53 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 tt -76.02 -39.37 55.85 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.792 . . . . 0.0 109.773 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -51.48 7.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.477 -0.764 . . . . 0.0 110.368 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.3 tpt -56.16 -43.9 78.78 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.209 -0.932 . . . . 0.0 110.496 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.1 m -67.05 -41.69 86.07 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.898 . . . . 0.0 110.476 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 tp -80.26 -18.09 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.168 -0.957 . . . . 0.0 110.042 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -43.76 72.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.37 -0.831 . . . . 0.0 109.66 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -27.39 48.04 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.429 -0.794 . . . . 0.0 109.804 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -39.12 28.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.405 -0.809 . . . . 0.0 110.09 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.28 -47.47 67.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.284 -0.885 . . . . 0.0 109.968 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -88.51 83.63 6.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.482 -0.761 . . . . 0.0 110.113 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.61 -48.47 0.07 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -96.95 99.71 11.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.378 -1.071 . . . . 0.0 110.096 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -145.46 27.38 1.24 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.374 -0.829 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.01 34.58 5.58 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.535 HD12 ' OD1' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -161.72 94.73 1.33 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.362 -1.081 . . . . 0.0 110.325 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.1 117.55 5.16 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 O-C-N 123.763 1.401 . . . . 0.0 110.434 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.535 ' OD1' HD12 ' A' ' 81' ' ' LEU . 1.4 m-20 -110.51 64.58 0.61 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.398 -0.814 . . . . 0.0 110.144 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -37.16 77.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.38 -0.825 . . . . 0.0 110.219 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 t -63.45 -29.43 70.71 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.325 -0.859 . . . . 0.0 110.096 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.6 m -109.84 29.62 7.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.342 -0.849 . . . . 0.0 110.152 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.404 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . 2.2 mtt -106.66 137.36 44.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.459 -0.775 . . . . 0.0 110.136 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.8 p -70.47 168.4 16.27 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.378 -0.826 . . . . 0.0 110.208 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.27 -31.41 65.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.359 -0.838 . . . . 0.0 110.077 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.442 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 29.3 mt-10 -79.69 -35.68 38.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.467 -0.771 . . . . 0.0 109.961 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.99 -62.07 1.9 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.284 -0.885 . . . . 0.0 109.848 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' HG3' ' HB3' ' A' ' 87' ' ' MET . 45.2 mt-30 -59.15 -29.32 67.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.337 -0.852 . . . . 0.0 109.355 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -69.65 -36.53 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.588 -0.695 . . . . 0.0 109.283 179.399 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.08 72.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.384 -0.823 . . . . 0.0 109.575 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.22 -44.0 15.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.491 -0.756 . . . . 0.0 110.076 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.76 -28.07 62.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.4 -0.812 . . . . 0.0 110.387 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.3 tpt -83.25 -24.48 32.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.382 -0.824 . . . . 0.0 109.85 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -76.06 -33.86 59.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.408 -0.808 . . . . 0.0 110.078 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.1 mmm -85.12 -27.14 26.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.337 -0.852 . . . . 0.0 110.234 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -78.56 -23.6 46.04 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.863 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.18 64.89 0.57 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.258 -0.901 . . . . 0.0 110.096 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 52.04 37.0 20.17 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.268 -0.895 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.28 92.98 0.53 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -160.65 110.32 1.72 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -1.067 . . . . 0.0 110.195 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.74 -42.7 95.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 110.194 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -135.92 72.35 1.44 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.48 -0.762 . . . . 0.0 110.127 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.87 50.01 0.59 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.58 112.51 3.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.405 -1.056 . . . . 0.0 110.169 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.76 -69.38 0.83 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.236 -0.915 . . . . 0.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -124.08 79.57 1.74 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 110.257 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.8 t -137.3 -69.0 0.46 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.335 -0.853 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.192 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.235 0.54 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -167.68 -166.2 0.73 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 110.109 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.606 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 2.2 mp -111.03 24.72 12.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.439 -0.788 . . . . 0.0 109.481 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.99 -86.78 1.85 Allowed Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 tt -91.18 -33.99 15.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -1.081 . . . . 0.0 110.159 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.62 57.34 2.64 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.606 ' HB2' ' HA ' ' A' ' 3' ' ' LEU . . . -132.79 -62.26 0.82 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.425 -1.044 . . . . 0.0 110.189 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -101.03 28.07 5.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.387 -0.82 . . . . 0.0 110.157 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -33.81 54.07 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.351 -0.843 . . . . 0.0 109.977 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 26.0 p90 -153.17 24.82 0.54 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.392 -0.818 . . . . 0.0 110.298 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.38 104.75 1.96 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.365 -0.835 . . . . 0.0 110.325 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 53.48 40.17 31.01 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.386 -0.821 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.34 29.94 2.75 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 15' ' ' ASP . 35.0 m -144.77 -40.66 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.347 -1.09 . . . . 0.0 110.418 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' SER . 27.4 p30 -135.4 163.34 51.54 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.248 -0.908 . . . . 0.0 110.054 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 15' ' ' ASP . 35.3 Cg_endo -58.02 72.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 O-C-N 123.867 1.456 . . . . 0.0 111.721 -178.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' ASP . 1.2 t 63.36 35.51 12.22 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.524 0.678 . . . . 0.0 109.315 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' SER . . . 36.32 37.32 0.05 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.348 0.594 . . . . 0.0 111.035 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.57 121.52 0.62 Allowed Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.33 -30.71 12.45 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.071 1.563 . . . . 0.0 110.346 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.71 -40.95 96.22 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.332 -0.855 . . . . 0.0 109.903 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -31.26 68.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.417 -0.802 . . . . 0.0 109.859 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.33 85.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.37 -0.832 . . . . 0.0 109.836 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.33 -40.07 95.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.432 -0.792 . . . . 0.0 109.939 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.3 73.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.447 -0.783 . . . . 0.0 110.008 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -24.22 62.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.799 . . . . 0.0 110.098 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.81 -28.89 44.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.842 . . . . 0.0 109.062 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.19 -26.4 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.55 -0.719 . . . . 0.0 109.691 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.56 -46.38 26.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.436 -0.79 . . . . 0.0 110.036 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -43.45 92.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.445 -0.785 . . . . 0.0 110.013 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -63.85 -39.07 93.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.414 -0.804 . . . . 0.0 110.208 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.68 -46.2 79.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.798 . . . . 0.0 110.213 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -61.44 -36.29 79.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.421 -0.799 . . . . 0.0 110.117 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.3 -40.35 95.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.441 -0.787 . . . . 0.0 110.097 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.69 -31.0 72.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.339 -0.851 . . . . 0.0 110.174 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -85.05 -45.75 11.83 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.84 . . . . 0.0 110.272 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.695 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -62.76 -27.27 69.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.336 -0.852 . . . . 0.0 110.235 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -84.26 -58.6 2.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.425 -0.797 . . . . 0.0 109.823 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -50.78 -34.99 29.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.515 -0.74 . . . . 0.0 109.46 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.9 -34.62 26.6 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.641 -0.662 . . . . 0.0 109.251 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.49 -51.98 60.24 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 109.743 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 36.0 ptt85 -64.07 -29.94 71.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 0.0 109.766 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -57.03 -43.65 82.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.234 -0.916 . . . . 0.0 109.185 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.06 -23.76 62.2 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.899 -0.72 . . . . 0.0 109.48 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -68.85 -25.5 64.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.462 -0.774 . . . . 0.0 110.034 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.17 -33.62 16.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.382 -0.824 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.75 -26.74 60.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.316 -0.865 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -95.36 -27.04 15.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.357 -0.839 . . . . 0.0 110.404 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 45' ' ' ALA . . . -73.33 -31.85 64.23 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.412 -0.805 . . . . 0.0 110.283 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.16 10.49 37.55 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.462 -0.774 . . . . 0.0 110.647 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -117.4 -32.13 5.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.176 -0.953 . . . . 0.0 110.244 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.89 -26.99 9.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -0.865 . . . . 0.0 110.311 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.81 -18.78 50.22 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 tt -58.42 -28.14 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.166 -1.196 . . . . 0.0 110.283 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.59 99.0 8.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.365 -0.834 . . . . 0.0 110.252 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 56' ' ' THR . 9.1 t -164.01 56.1 0.16 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.352 -0.842 . . . . 0.0 110.335 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.3 m -106.8 -13.75 15.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.325 -0.86 . . . . 0.0 110.511 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.91 30.6 6.04 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 59' ' ' THR . 10.1 t -84.32 58.69 4.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.441 -1.035 . . . . 0.0 110.239 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -137.19 57.88 1.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.342 -0.849 . . . . 0.0 110.105 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -120.73 -42.55 2.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.433 -0.792 . . . . 0.0 110.247 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 59.7 m -123.42 87.18 2.7 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.405 -0.809 . . . . 0.0 110.36 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.64 -31.56 70.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.431 -0.793 . . . . 0.0 110.187 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -75.28 -28.18 59.67 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.223 -0.923 . . . . 0.0 109.163 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.434 ' HB2' ' HB3' ' A' ' 62' ' ' SER . . . -63.21 -42.63 99.33 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.58 -0.848 . . . . 0.0 108.734 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -30.17 71.13 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tt -76.35 -41.02 49.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.539 -0.725 . . . . 0.0 110.02 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -78.27 -53.0 7.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.467 -0.771 . . . . 0.0 110.3 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.4 tpt -52.23 -40.55 61.77 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.25 -0.906 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.8 m -66.68 -45.16 79.74 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.349 -0.844 . . . . 0.0 110.471 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 71' ' ' ILE . 5.8 tp -80.54 -16.2 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m -70.41 -43.34 70.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.354 -0.841 . . . . 0.0 109.626 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -79.76 -28.38 40.39 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 109.787 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -40.3 42.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.41 -0.806 . . . . 0.0 109.938 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.66 -52.08 48.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.356 -0.84 . . . . 0.0 110.066 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -75.5 102.87 5.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.393 -0.817 . . . . 0.0 110.161 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.2 -54.35 0.68 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.26 100.52 10.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -1.09 . . . . 0.0 110.157 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -151.18 75.65 1.19 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.385 -0.822 . . . . 0.0 110.289 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.2 50.33 0.79 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.58 93.65 1.55 Allowed Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.325 -1.103 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -73.1 -15.61 25.73 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 O-C-N 123.729 1.383 . . . . 0.0 110.485 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.18 83.25 0.08 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.236 -0.915 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.9 mt -67.59 -21.5 65.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 110.248 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -24.0 59.74 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.337 -0.852 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.6 p -95.97 27.73 3.46 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.237 -0.915 . . . . 0.0 110.311 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 154.75 43.13 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.441 -0.787 . . . . 0.0 110.121 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.6 p -82.19 168.49 17.63 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.342 -0.849 . . . . 0.0 110.233 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.12 -29.1 63.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.44 -0.787 . . . . 0.0 110.174 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 2.7 mt-10 -79.97 -37.59 34.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.352 -0.843 . . . . 0.0 109.852 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -61.9 2.01 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.352 -0.842 . . . . 0.0 109.782 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -59.17 -27.55 65.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -0.824 . . . . 0.0 109.493 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -68.31 -45.22 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.604 -0.685 . . . . 0.0 109.524 179.485 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -58.05 -34.38 70.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 109.601 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -83.17 -26.77 30.59 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.486 -0.759 . . . . 0.0 110.039 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.62 -35.03 40.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.359 -0.838 . . . . 0.0 110.107 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.1 mtm -78.66 -25.74 44.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.311 -0.868 . . . . 0.0 109.388 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -76.23 -31.74 58.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.565 -0.71 . . . . 0.0 109.819 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -38.51 59.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.475 -0.765 . . . . 0.0 109.982 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.8 m -64.39 -48.28 76.03 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.441 -0.787 . . . . 0.0 110.112 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -36.77 85.41 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.397 -0.815 . . . . 0.0 110.136 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -97.6 57.4 1.37 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.407 -0.808 . . . . 0.0 110.206 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.37 -38.55 95.09 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.7 93.19 2.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.369 -1.077 . . . . 0.0 110.123 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.61 -35.7 81.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 110.225 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -136.05 -44.01 0.64 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 110.247 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.87 73.29 0.73 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -149.96 69.98 1.03 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.329 -1.101 . . . . 0.0 110.187 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -167.63 103.63 0.5 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.235 -0.916 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 51.95 93.99 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.324 -0.86 . . . . 0.0 110.484 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.2 m -73.64 -170.23 0.82 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.416 -0.802 . . . . 0.0 110.259 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.223 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.2 p80 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.143 0.496 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.35 -174.79 5.35 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.433 -0.792 . . . . 0.0 110.183 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -111.91 26.61 10.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.474 -0.766 . . . . 0.0 109.463 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.29 -130.79 7.07 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -112.13 -29.03 7.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.359 -1.083 . . . . 0.0 110.158 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.21 123.96 1.3 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.93 30.25 3.11 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.325 -1.103 . . . . 0.0 110.317 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.6 p -143.86 26.7 1.53 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.353 -0.842 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.59 -14.34 21.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.317 -0.864 . . . . 0.0 110.526 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -77.99 80.55 4.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.148 -0.97 . . . . 0.0 110.243 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -164.72 35.16 0.07 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.338 -0.851 . . . . 0.0 110.5 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -170.18 -44.36 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.356 -0.84 . . . . 0.0 110.225 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.15 -15.2 56.38 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.4 t -80.43 -60.56 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.138 -1.213 . . . . 0.0 110.109 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -152.58 155.41 32.65 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.863 . . . . 0.0 110.243 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.82 -17.56 32.68 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 O-C-N 123.798 1.42 . . . . 0.0 110.483 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -63.8 -16.47 61.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.892 . . . . 0.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.99 -29.32 60.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.227 -0.921 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.98 118.21 0.67 Allowed Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.472 -0.767 . . . . 0.0 110.255 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -74.51 -36.14 3.2 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 O-C-N 123.941 1.495 . . . . 0.0 110.398 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.09 -39.8 91.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.452 -0.78 . . . . 0.0 110.289 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -71.86 -32.12 67.17 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.026 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.04 67.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.357 -0.839 . . . . 0.0 110.072 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -71.72 -45.1 62.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.331 -0.855 . . . . 0.0 110.047 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.0 76.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.351 -0.843 . . . . 0.0 110.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' A' ' 26' ' ' LEU . 48.6 tp -75.16 -21.34 58.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.352 -0.843 . . . . 0.0 110.332 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -80.57 -30.6 36.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 0.0 109.188 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.0 t -77.77 -28.43 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.658 -0.651 . . . . 0.0 109.703 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 m -77.66 -36.88 50.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.482 -0.761 . . . . 0.0 109.995 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.3 mtm -68.87 -37.13 78.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.453 -0.779 . . . . 0.0 110.037 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.88 -40.82 79.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.41 -0.807 . . . . 0.0 110.1 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -60.75 -44.82 96.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.271 -0.893 . . . . 0.0 110.058 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -33.11 72.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.331 -0.856 . . . . 0.0 110.023 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -37.18 71.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.431 -0.793 . . . . 0.0 109.928 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.65 -41.48 90.63 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.494 -0.754 . . . . 0.0 110.082 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -46.16 65.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.41 -0.806 . . . . 0.0 109.994 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.672 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -65.12 -24.73 67.5 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.32 -0.862 . . . . 0.0 110.035 179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -83.82 -58.56 2.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.452 -0.78 . . . . 0.0 109.514 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.86 -33.35 35.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.515 -0.741 . . . . 0.0 109.323 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -83.24 -33.64 26.03 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.39 -54.24 35.99 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.481 -0.762 . . . . 0.0 109.581 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 20.7 ptt85 -65.88 -30.44 71.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.442 -0.786 . . . . 0.0 109.575 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -44.41 68.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.376 -0.828 . . . . 0.0 109.312 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.87 -24.58 59.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.546 -0.721 . . . . 0.0 109.373 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -67.58 -34.82 77.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.507 -0.745 . . . . 0.0 109.972 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.89 -38.93 16.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.414 -0.804 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.12 -37.11 83.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.405 -0.809 . . . . 0.0 110.084 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -32.91 37.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.429 -0.795 . . . . 0.0 110.063 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.15 -28.94 64.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.36 -0.838 . . . . 0.0 110.04 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.47 16.95 14.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.457 -0.777 . . . . 0.0 110.242 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.38 -43.87 0.77 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 0.0 109.912 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.44 -26.91 60.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 0.0 109.924 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.38 -97.41 0.72 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.511 HG23 ' N ' ' A' ' 55' ' ' ALA . 4.9 tp -140.31 -42.04 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.323 -1.104 . . . . 0.0 110.289 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.511 ' N ' HG23 ' A' ' 54' ' ' ILE . . . -175.04 -73.63 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.187 -0.946 . . . . 0.0 110.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.7 p -113.06 -168.33 1.31 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.084 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.5 m -142.9 85.82 1.9 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.342 -0.849 . . . . 0.0 110.192 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.23 -76.36 0.02 OUTLIER Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.8 p -131.06 101.63 5.68 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.347 -1.09 . . . . 0.0 110.308 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.58 58.52 1.61 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.477 -0.764 . . . . 0.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.45 -44.8 23.76 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.315 -0.866 . . . . 0.0 110.091 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -133.77 105.27 6.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.409 -0.807 . . . . 0.0 110.005 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.93 -33.12 49.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.304 -0.872 . . . . 0.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.79 -31.5 57.03 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.16 -0.962 . . . . 0.0 109.242 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 62' ' ' SER . . . -60.45 -49.24 78.33 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.531 -0.867 . . . . 0.0 108.86 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.437 ' O ' ' CG2' ' A' ' 70' ' ' THR . 7.8 tt -61.01 -28.58 69.15 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 tt -77.26 -33.99 55.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.635 -0.665 . . . . 0.0 109.616 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -82.94 -56.74 3.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.493 -0.754 . . . . 0.0 110.107 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.9 mtt -52.22 -37.96 56.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.274 -0.891 . . . . 0.0 110.734 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 66' ' ' LEU . 7.7 t -72.05 -39.13 69.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.2 -0.938 . . . . 0.0 110.277 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.441 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 4.0 tp -85.71 -8.01 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.266 -0.896 . . . . 0.0 110.34 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -85.28 -40.12 16.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 109.754 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -92.45 -20.3 21.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.438 -0.789 . . . . 0.0 110.19 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -93.48 -33.06 13.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.873 . . . . 0.0 110.427 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 5.6 tm-20 -91.27 -35.24 14.58 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.259 -0.901 . . . . 0.0 110.13 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -116.48 81.02 1.55 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 110.176 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.4 -68.57 0.01 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -105.2 108.01 19.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -1.053 . . . . 0.0 110.082 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 m -143.1 16.68 1.91 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.361 -0.837 . . . . 0.0 110.486 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.54 13.86 66.58 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -174.89 95.56 0.28 Allowed Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.168 -1.195 . . . . 0.0 110.194 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.57 108.49 2.55 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.694 1.365 . . . . 0.0 110.475 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.05 73.26 10.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.365 -0.834 . . . . 0.0 110.193 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.49 -25.77 66.32 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.412 -0.805 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -32.67 69.36 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.376 -0.828 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -119.24 44.95 2.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 110.212 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 mtt -110.76 140.08 45.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.398 -0.814 . . . . 0.0 110.142 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.7 p -73.34 171.02 13.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.462 -0.774 . . . . 0.0 110.31 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.87 -33.55 66.96 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.184 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 8.7 mt-10 -80.62 -33.74 35.6 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.348 -0.845 . . . . 0.0 110.164 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -55.95 -62.26 1.82 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.318 -0.864 . . . . 0.0 110.013 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.07 -25.02 66.65 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.46 -0.775 . . . . 0.0 109.595 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -71.66 -43.71 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.464 -0.772 . . . . 0.0 109.623 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.98 -30.07 70.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.351 -0.843 . . . . 0.0 109.657 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -85.92 -46.26 10.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.468 -0.77 . . . . 0.0 110.026 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.9 64.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 110.18 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.431 ' O ' HD12 ' A' ' 101' ' ' LEU . 17.1 ttm -83.22 -29.34 28.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 109.672 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.565 ' HA ' HD12 ' A' ' 101' ' ' LEU . 7.8 tt0 -68.84 -32.92 72.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.459 -0.776 . . . . 0.0 109.862 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.9 mmm -87.27 -21.6 25.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.481 -0.762 . . . . 0.0 110.205 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -81.85 -28.49 32.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.267 -0.896 . . . . 0.0 110.365 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 98' ' ' GLN . 13.9 mt -61.17 -39.27 89.5 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.332 -0.855 . . . . 0.0 110.132 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -105.17 42.64 1.2 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.418 -0.801 . . . . 0.0 110.117 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -102.66 -119.41 4.59 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -162.04 81.15 0.55 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.361 -1.082 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.7 61.79 6.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.38 -0.825 . . . . 0.0 110.22 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.46 85.42 1.13 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.379 -0.825 . . . . 0.0 110.186 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 91.75 -50.34 2.88 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -94.02 52.63 1.66 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.405 -1.056 . . . . 0.0 110.156 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' SER . . . -93.66 -35.28 12.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.39 -0.819 . . . . 0.0 110.265 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.34 -78.36 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.552 -0.718 . . . . 0.0 110.403 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' ALA . 14.5 t -77.54 141.27 39.67 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.322 -0.861 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.183 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.176 0.512 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 179.97 7.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.424 -0.797 . . . . 0.0 110.215 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 tp -112.13 25.45 11.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.34 -0.85 . . . . 0.0 109.555 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.22 1.26 89.0 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 53.27 82.39 0.08 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.083 -1.246 . . . . 0.0 110.341 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.66 -13.6 83.34 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 54.86 25.7 6.98 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.131 -1.217 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.17 -38.25 2.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.329 -0.857 . . . . 0.0 110.202 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.41 -36.97 79.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.177 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.28 103.63 6.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.316 -0.865 . . . . 0.0 110.156 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.52 44.53 1.11 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.447 -0.783 . . . . 0.0 110.214 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -131.39 30.88 4.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.471 -0.768 . . . . 0.0 110.276 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.16 -26.64 3.37 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.663 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 61.1 t 52.95 32.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.344 -1.092 . . . . 0.0 110.13 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.436 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.5 OUTLIER 60.22 176.1 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.801 0 O-C-N 121.381 -0.825 . . . . 0.0 110.05 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 43.2 Cg_endo -69.69 -18.0 37.58 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.668 1.351 . . . . 0.0 110.356 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -21.92 65.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.363 -0.835 . . . . 0.0 109.945 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . . . -53.83 -31.48 49.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.311 -0.868 . . . . 0.0 110.52 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -148.85 109.7 3.52 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -74.69 -40.13 1.14 Allowed 'Trans proline' 0 C--N 1.306 -1.676 0 O-C-N 124.084 1.57 . . . . 0.0 110.421 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.45 -41.78 69.85 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.34 -0.85 . . . . 0.0 110.201 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.91 -38.08 85.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.361 -0.837 . . . . 0.0 109.795 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.21 78.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.519 -0.738 . . . . 0.0 110.057 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -73.65 -34.2 64.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.304 -0.872 . . . . 0.0 109.976 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.82 97.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.382 -0.824 . . . . 0.0 110.083 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' A' ' 26' ' ' LEU . 48.8 tp -76.15 -21.56 56.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.318 -0.864 . . . . 0.0 110.311 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -80.56 -29.32 37.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.877 . . . . 0.0 109.389 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 24' ' ' LEU . 85.0 t -78.63 -28.81 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.566 -0.708 . . . . 0.0 109.796 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 t -74.84 -45.61 42.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.444 -0.785 . . . . 0.0 110.033 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -64.09 -37.95 89.3 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.416 -0.803 . . . . 0.0 110.075 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.7 -34.32 75.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.427 -0.795 . . . . 0.0 110.088 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.71 -51.36 67.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.361 -0.837 . . . . 0.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -58.63 -33.16 69.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.313 -0.867 . . . . 0.0 110.149 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -40.02 67.23 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.393 -0.817 . . . . 0.0 110.031 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -35.76 69.76 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.406 -0.809 . . . . 0.0 110.091 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -43.07 63.57 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.425 -0.797 . . . . 0.0 109.908 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -72.71 -21.93 60.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.426 -0.796 . . . . 0.0 110.071 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.44 -58.34 3.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.47 -0.769 . . . . 0.0 109.538 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.56 -31.81 37.8 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.421 -0.799 . . . . 0.0 109.148 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -84.59 -34.64 23.12 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.39 -53.9 41.2 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.47 -0.769 . . . . 0.0 109.501 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 33.9 ptt85 -63.56 -30.95 71.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.388 -0.82 . . . . 0.0 109.571 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -44.56 71.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.42 -0.8 . . . . 0.0 109.273 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.96 -23.18 60.64 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.502 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -68.97 -34.0 74.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.495 -0.753 . . . . 0.0 110.052 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.73 -39.88 15.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.406 -0.809 . . . . 0.0 110.167 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.47 -28.03 68.01 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.318 -0.864 . . . . 0.0 110.143 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.23 -28.34 15.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.377 -0.827 . . . . 0.0 110.111 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.27 -25.87 66.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.372 -0.83 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.41 -26.45 65.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.342 -0.849 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.26 -33.01 72.6 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.405 -0.81 . . . . 0.0 110.13 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.36 -28.51 38.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.327 -0.858 . . . . 0.0 110.103 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.08 -69.73 1.19 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.0 pt -122.98 -140.01 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -1.1 . . . . 0.0 109.771 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.54 -66.83 0.09 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.054 -1.029 . . . . 0.0 110.168 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.6 p -112.16 137.43 50.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.358 -0.839 . . . . 0.0 110.152 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -119.81 -170.6 1.98 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.359 -0.838 . . . . 0.0 110.252 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.69 82.59 0.16 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -117.68 55.42 0.87 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -1.084 . . . . 0.0 110.203 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.61 71.68 1.33 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.807 . . . . 0.0 110.196 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -100.5 -61.27 1.39 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.312 -0.868 . . . . 0.0 110.103 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.445 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 35.2 m -114.17 79.59 1.28 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.312 -0.867 . . . . 0.0 110.178 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -29.96 70.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.376 -0.827 . . . . 0.0 110.197 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.6 -32.15 53.43 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.215 -0.928 . . . . 0.0 109.331 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 62' ' ' SER . . . -60.91 -37.12 81.15 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.5 -0.88 . . . . 0.0 108.823 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -30.95 67.79 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.542 ' C ' HD23 ' A' ' 67' ' ' LEU . 7.2 tt -74.52 -40.9 61.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.556 -0.715 . . . . 0.0 109.616 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' SER . 8.4 mmtt -81.07 -53.37 6.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.545 -0.722 . . . . 0.0 110.334 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 ttt -54.08 -41.13 67.87 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.206 -0.934 . . . . 0.0 110.636 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -68.1 -43.32 78.74 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.27 -0.894 . . . . 0.0 110.552 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.6 tp -83.44 -13.17 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 110.511 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 48.3 t -75.5 -46.18 33.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 0.0 109.887 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -79.41 -28.32 41.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.399 -0.813 . . . . 0.0 110.018 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -78.56 -46.98 18.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.365 -0.834 . . . . 0.0 110.111 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -45.68 93.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.39 -0.819 . . . . 0.0 110.047 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -64.07 -20.84 66.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.361 -0.837 . . . . 0.0 110.336 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -94.9 23.66 31.96 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.14 10.17 41.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.326 -1.102 . . . . 0.0 110.508 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 79' ' ' THR . 10.1 t -88.36 73.81 8.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.226 -0.921 . . . . 0.0 110.319 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -94.94 28.62 11.01 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.9 95.61 1.13 Allowed Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.417 -1.049 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.76 -9.37 25.63 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.716 1.377 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 56.28 54.57 7.56 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.167 -0.958 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.533 HD23 ' HE3' ' A' ' 87' ' ' MET . 33.9 mt -60.09 -28.26 67.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.33 -0.856 . . . . 0.0 110.183 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -21.39 65.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.301 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -95.04 25.88 3.96 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 110.402 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.533 ' HE3' HD23 ' A' ' 84' ' ' LEU . 8.8 mtm -133.03 155.72 48.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.306 -0.871 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 76.2 p -57.56 155.24 9.95 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.349 -0.845 . . . . 0.0 110.067 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.64 -26.95 36.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.303 -0.873 . . . . 0.0 110.342 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -85.48 -34.62 21.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.424 -0.797 . . . . 0.0 110.116 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.03 -59.53 5.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.304 -0.873 . . . . 0.0 109.206 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -59.8 -21.65 61.14 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.482 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -75.06 -45.58 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.452 -0.78 . . . . 0.0 109.366 179.553 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -56.94 -35.22 68.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -0.834 . . . . 0.0 109.566 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -81.36 -37.21 28.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.562 -0.712 . . . . 0.0 110.064 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.41 -30.56 66.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.337 -0.852 . . . . 0.0 110.283 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -25.42 37.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.349 -0.844 . . . . 0.0 109.746 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -36.65 68.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.452 -0.78 . . . . 0.0 109.894 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 38.3 tpp -79.32 -26.23 42.21 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.448 -0.782 . . . . 0.0 110.194 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.7 p -73.95 -28.31 61.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.355 -0.84 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -87.64 53.5 2.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.346 -0.846 . . . . 0.0 110.201 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -120.02 -28.94 5.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.361 -0.837 . . . . 0.0 110.464 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.44 54.57 1.07 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.9 80.69 1.65 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.359 -1.083 . . . . 0.0 110.108 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -58.42 -27.63 64.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.411 -0.805 . . . . 0.0 110.248 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -151.94 -54.96 0.13 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.359 -0.838 . . . . 0.0 110.23 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 150.47 -48.75 0.57 Allowed Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -128.62 92.5 3.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.35 -1.088 . . . . 0.0 110.245 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -165.07 71.71 0.18 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.386 -0.821 . . . . 0.0 110.17 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 52.36 91.91 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.336 -0.852 . . . . 0.0 110.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.8 p -95.9 119.23 34.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.185 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 43.9 t60 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.184 0.516 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.9 -172.45 2.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.359 -0.838 . . . . 0.0 110.238 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.4 mt -111.0 24.62 12.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.438 -0.788 . . . . 0.0 109.408 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 77.03 1.02 Allowed Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.41 -71.74 0.18 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.399 -1.059 . . . . 0.0 110.16 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.67 128.92 9.64 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.531 ' HB1' ' OE2' ' A' ' 11' ' ' GLU . . . -114.69 25.41 11.01 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.334 -1.098 . . . . 0.0 110.239 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.12 -39.76 2.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.284 -0.885 . . . . 0.0 110.261 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.86 -41.04 97.35 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.347 -0.846 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.449 ' HD1' HG21 ' A' ' 14' ' ' VAL . 34.8 m-85 -132.02 100.04 4.93 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.43 -0.794 . . . . 0.0 110.214 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' OE2' ' HB1' ' A' ' 7' ' ' ALA . 2.3 tt0 -167.51 49.49 0.06 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.338 -0.851 . . . . 0.0 110.211 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -147.25 26.73 1.06 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.41 -0.806 . . . . 0.0 110.231 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.46 -30.31 4.98 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG21 ' HD1' ' A' ' 10' ' ' PHE . 34.9 m -61.27 -19.92 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.374 -1.074 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -129.1 165.33 32.99 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.376 -0.827 . . . . 0.0 110.093 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.29 -21.79 30.54 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 O-C-N 123.848 1.446 . . . . 0.0 110.652 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 t -60.06 -22.59 62.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.297 -0.877 . . . . 0.0 110.269 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.95 -23.74 66.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.313 -0.867 . . . . 0.0 110.346 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -169.54 123.64 0.68 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 0.0 110.008 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -75.71 -40.16 0.82 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 124.027 1.54 . . . . 0.0 110.414 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.29 -38.71 90.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -32.55 66.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.431 -0.793 . . . . 0.0 110.147 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -34.84 67.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.361 -0.837 . . . . 0.0 110.175 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -67.78 -44.24 77.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.39 -0.819 . . . . 0.0 109.974 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.2 72.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 110.045 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -70.9 -21.31 62.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.458 -0.776 . . . . 0.0 110.224 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -84.98 -33.54 22.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -0.874 . . . . 0.0 109.448 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 24' ' ' LEU . 59.0 t -72.9 -29.03 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.458 -0.776 . . . . 0.0 109.824 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -79.27 -46.17 18.32 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.442 -0.786 . . . . 0.0 110.123 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.7 tpp -64.5 -33.83 76.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 0.0 110.045 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -72.0 -36.63 69.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.31 -0.869 . . . . 0.0 110.086 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.57 -43.87 83.81 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.354 -0.841 . . . . 0.0 109.941 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -36.37 82.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.369 -0.832 . . . . 0.0 110.002 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -35.72 75.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.371 -0.83 . . . . 0.0 110.049 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.54 -39.36 90.79 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.337 -0.852 . . . . 0.0 110.001 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.9 mtt85 -71.8 -37.38 70.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.819 . . . . 0.0 109.926 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.532 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 4.4 tp-100 -74.91 -24.61 58.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.44 -0.788 . . . . 0.0 110.137 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -77.32 -53.96 7.05 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.82 . . . . 0.0 109.417 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.27 -32.4 56.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.373 -0.83 . . . . 0.0 108.813 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.36 -36.04 21.01 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.709 -0.619 . . . . 0.0 109.39 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -67.41 -56.86 7.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.349 -0.844 . . . . 0.0 109.783 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -59.52 -36.19 75.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.388 -0.82 . . . . 0.0 110.151 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -42.63 76.96 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.293 -0.879 . . . . 0.0 110.041 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.79 -28.24 63.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.384 -0.823 . . . . 0.0 109.906 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.49 64.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.382 -0.824 . . . . 0.0 110.096 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.51 -39.27 88.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.401 -0.812 . . . . 0.0 110.147 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -34.65 78.88 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.331 -0.856 . . . . 0.0 110.09 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -51.97 9.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.369 -0.832 . . . . 0.0 110.118 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.3 -24.19 66.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.412 -0.805 . . . . 0.0 110.207 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' CB ' ' A' ' 55' ' ' ALA . . . -94.67 20.54 8.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.887 . . . . 0.0 110.405 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -149.56 -59.88 0.21 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.872 . . . . 0.0 110.221 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.06 29.11 7.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.344 -0.848 . . . . 0.0 110.245 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' C ' HG23 ' A' ' 54' ' ' ILE . . . -119.76 -91.89 1.34 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.434 HG23 ' C ' ' A' ' 53' ' ' GLY . 4.4 pt -147.71 47.06 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.326 -1.102 . . . . 0.0 110.217 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -117.65 -176.2 2.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.349 -0.844 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.44 57.08 0.88 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.362 -0.836 . . . . 0.0 110.129 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.5 t -135.59 170.42 15.99 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.397 -0.814 . . . . 0.0 110.17 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -128.5 -78.96 0.24 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -146.57 84.18 1.61 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.397 -1.061 . . . . 0.0 110.199 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' SER . 9.6 mt-10 -119.86 43.72 2.59 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.337 -0.852 . . . . 0.0 110.474 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.631 ' O ' ' N ' ' A' ' 63' ' ' ASP . 1.6 m-20 -55.75 97.35 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' GLU . 5.4 p -50.92 79.28 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.733 0.778 . . . . 0.0 110.732 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.631 ' N ' ' O ' ' A' ' 61' ' ' ASP . 34.7 t70 -56.25 -27.77 56.24 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.727 -0.608 . . . . 0.0 110.367 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -77.36 -32.07 54.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.184 -0.948 . . . . 0.0 109.27 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 62' ' ' SER . . . -62.14 -36.74 82.72 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.419 -0.913 . . . . 0.0 108.641 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 70' ' ' THR . 0.5 OUTLIER -69.2 -30.67 68.9 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.586 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -75.99 -43.0 46.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.591 -0.693 . . . . 0.0 109.596 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -74.92 -52.7 10.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.464 -0.773 . . . . 0.0 110.021 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.6 ttt -51.47 -37.54 49.4 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.378 -0.826 . . . . 0.0 110.648 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 66' ' ' LEU . 7.0 p -68.34 -45.63 72.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.284 -0.885 . . . . 0.0 110.405 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.5 tp -82.8 -12.07 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.233 -0.917 . . . . 0.0 110.33 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.88 -45.68 34.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.923 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.95 -25.29 34.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.35 -0.844 . . . . 0.0 110.191 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -82.31 -38.87 23.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.53 -42.7 67.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.33 -0.857 . . . . 0.0 110.122 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -60.7 89.08 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.389 -0.82 . . . . 0.0 110.297 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.48 -49.34 0.04 OUTLIER Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -90.11 -39.18 13.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.417 -1.049 . . . . 0.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 79' ' ' THR . 78.7 m 51.84 29.49 6.01 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.294 -0.879 . . . . 0.0 109.824 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' O ' HD23 ' A' ' 81' ' ' LEU . . . 99.58 -87.5 0.75 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 80' ' ' GLY . 75.1 mt -149.15 114.56 3.63 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.374 -1.074 . . . . 0.0 109.831 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.24 -5.52 17.31 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 O-C-N 123.566 1.298 . . . . 0.0 110.716 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.08 95.35 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.188 -0.945 . . . . 0.0 110.561 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 84' ' ' LEU . 4.2 mm? -86.68 -28.81 22.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.386 -0.821 . . . . 0.0 110.059 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -13.7 62.41 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.365 -0.834 . . . . 0.0 110.492 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.11 29.33 2.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.2 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.442 ' SD ' HD13 ' A' ' 84' ' ' LEU . 39.4 mtt -113.02 131.39 55.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.373 -0.829 . . . . 0.0 110.11 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.446 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 69.3 p -65.26 -172.42 0.1 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.371 -0.831 . . . . 0.0 110.414 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 93' ' ' ILE . 4.1 mt-10 -63.9 -33.34 75.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.526 -0.734 . . . . 0.0 110.155 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 8.4 mm-40 -84.58 -31.69 24.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.459 -0.776 . . . . 0.0 110.224 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HB2' ' N ' ' A' ' 88' ' ' THR . 5.4 mt-10 -58.82 -61.9 2.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.225 -0.922 . . . . 0.0 109.602 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -59.32 -29.63 67.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.34 -0.85 . . . . 0.0 109.212 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.0 OUTLIER -70.94 -34.54 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.24 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 98' ' ' GLN . . . -62.4 -34.7 77.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.422 -0.799 . . . . 0.0 109.357 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.41 -44.01 30.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.556 -0.715 . . . . 0.0 109.958 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.13 81.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.498 -0.751 . . . . 0.0 110.255 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.7 mtp -77.19 -24.3 51.39 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.334 -0.854 . . . . 0.0 109.556 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 6.3 tt0 -67.15 -46.29 74.5 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.496 -0.752 . . . . 0.0 109.804 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 29.9 mtm -69.87 -32.53 70.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.396 -0.815 . . . . 0.0 109.987 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -26.72 53.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.337 -0.852 . . . . 0.0 110.126 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.93 65.88 1.11 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 57.24 96.4 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.341 -0.85 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.14 56.25 0.01 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 106' ' ' PHE . . . -104.29 82.34 1.93 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.375 -1.074 . . . . 0.0 110.225 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 106' ' ' PHE . 2.0 tt0 63.31 -75.0 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.39 -0.819 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 1.5 t80 73.22 -58.61 0.59 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.557 -0.714 . . . . 0.0 109.629 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 137.47 -167.77 24.65 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -89.57 50.55 1.93 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.373 -1.075 . . . . 0.0 110.256 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.05 49.14 1.59 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.178 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -109.42 -33.23 6.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.365 -0.834 . . . . 0.0 110.115 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.6 p -158.1 126.85 5.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 110.152 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.195 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.158 0.504 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 mtm -88.67 -179.99 6.13 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.378 -0.826 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.5 mm? -111.38 26.44 10.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.463 -0.773 . . . . 0.0 109.423 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.29 -33.51 6.5 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.739 -1.345 . . . . 0.0 109.739 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.84 82.54 1.67 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.283 -1.128 . . . . 0.0 110.357 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.2 105.63 0.85 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 52.4 28.85 6.21 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.297 -1.119 . . . . 0.0 110.489 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -131.51 14.21 4.98 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.314 -0.866 . . . . 0.0 110.471 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.31 -20.76 29.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.155 -0.966 . . . . 0.0 110.335 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -175.39 106.5 0.09 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.521 -0.737 . . . . 0.0 109.869 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -97.73 57.57 1.35 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.308 -0.87 . . . . 0.0 110.334 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.77 -54.07 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.412 -0.805 . . . . 0.0 110.095 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.27 62.83 0.73 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -105.35 -28.73 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.339 -1.095 . . . . 0.0 110.016 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.537 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -153.15 179.79 1.21 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 109.85 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.825 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 37.2 Cg_endo -61.67 78.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.577 1.304 . . . . 0.0 110.43 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER 70.38 48.23 0.49 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.231 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.86 27.93 0.53 Allowed 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.712 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.499 ' CB ' HD12 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -164.08 117.47 1.02 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.256 -0.902 . . . . 0.0 110.472 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.33 -37.21 2.65 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 O-C-N 124.077 1.567 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.4 -42.85 99.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.37 -0.831 . . . . 0.0 109.873 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD12 ' CB ' ' A' ' 19' ' ' ASP . 1.1 mt -62.61 -32.08 73.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.366 -0.834 . . . . 0.0 110.017 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.825 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . . . -63.74 -58.09 7.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.417 -0.802 . . . . 0.0 110.057 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 28' ' ' VAL . 6.1 tp -60.96 -30.21 70.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.343 -0.848 . . . . 0.0 110.115 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.53 88.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.362 -0.836 . . . . 0.0 109.957 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.66 -23.67 66.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.395 -0.816 . . . . 0.0 110.083 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -78.6 -30.06 46.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.361 -0.837 . . . . 0.0 109.084 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 24' ' ' LEU . 87.2 t -70.95 -31.13 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.457 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -37.01 62.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.411 -0.806 . . . . 0.0 109.819 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.3 mtt -61.96 -46.02 91.09 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.496 -0.753 . . . . 0.0 109.845 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -61.52 -43.93 97.97 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.915 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -32.21 70.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.392 -0.817 . . . . 0.0 109.909 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.17 -41.46 94.62 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.378 -0.826 . . . . 0.0 109.843 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -47.81 84.35 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.373 -0.83 . . . . 0.0 109.762 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -56.9 -29.61 63.16 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.398 -0.814 . . . . 0.0 109.749 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -42.58 34.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.543 -0.723 . . . . 0.0 109.768 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.663 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 1.8 tm0? -64.5 -29.58 70.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.372 -0.83 . . . . 0.0 109.896 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -83.52 -56.38 3.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.441 -0.787 . . . . 0.0 109.539 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.06 -31.96 44.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.425 -0.797 . . . . 0.0 109.246 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -85.31 -33.51 22.08 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -65.0 -51.78 59.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.436 -0.79 . . . . 0.0 109.648 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.585 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.3 ptt180 -65.63 -31.83 73.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 109.57 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -53.61 -47.84 69.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.831 . . . . 0.0 109.262 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.75 -25.05 65.43 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.127 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -67.89 -35.96 79.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.608 -0.682 . . . . 0.0 109.931 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.37 -41.35 14.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.432 -0.792 . . . . 0.0 110.045 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.27 69.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.345 -0.847 . . . . 0.0 110.066 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.9 t -84.41 -39.02 19.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.404 -0.81 . . . . 0.0 110.134 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.9 69.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.409 -0.807 . . . . 0.0 110.098 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' HD11 ' A' ' 54' ' ' ILE . . . -75.41 -8.45 56.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.392 -0.817 . . . . 0.0 110.543 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -104.84 -42.49 5.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.229 -0.919 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.18 27.86 7.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.831 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.39 -29.37 4.51 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.517 ' H ' HD12 ' A' ' 54' ' ' ILE . 2.4 mp -77.89 -54.45 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.221 -1.164 . . . . 0.0 109.864 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.95 -175.18 4.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.475 -0.766 . . . . 0.0 110.189 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.2 p -141.35 52.84 1.55 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.154 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -130.98 152.37 50.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.366 -0.834 . . . . 0.0 110.17 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -132.72 83.33 0.3 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.8 m -72.32 65.74 0.63 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.392 -1.064 . . . . 0.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.28 59.47 4.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -0.863 . . . . 0.0 110.13 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.07 -43.12 8.66 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.439 -0.788 . . . . 0.0 110.162 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.565 ' HB3' ' HB3' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -107.26 75.87 1.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.388 -0.82 . . . . 0.0 110.122 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -76.98 -48.94 16.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.401 -0.812 . . . . 0.0 110.286 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.7 -28.45 60.81 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.266 -0.896 . . . . 0.0 109.176 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.565 ' HB3' ' HB3' ' A' ' 62' ' ' SER . . . -62.2 -44.81 95.75 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.566 -0.854 . . . . 0.0 108.796 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -28.36 69.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 67' ' ' LEU . 5.9 tp -75.03 -47.72 27.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.413 -0.804 . . . . 0.0 109.874 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -79.45 -51.52 9.25 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.399 -0.813 . . . . 0.0 110.678 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.9 tpt -54.01 -37.84 64.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.147 -0.971 . . . . 0.0 110.776 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.2 m -72.73 -41.39 65.22 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.203 -0.935 . . . . 0.0 110.65 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 71' ' ' ILE . 5.3 tp -81.36 -18.8 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.127 -0.983 . . . . 0.0 110.056 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.2 m -73.82 -37.31 64.9 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.36 -0.837 . . . . 0.0 109.427 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.65 -25.69 38.13 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.487 -0.758 . . . . 0.0 109.948 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.75 -42.48 11.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.418 -0.801 . . . . 0.0 110.238 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.7 -37.97 87.92 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.831 . . . . 0.0 110.145 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.54 85.68 6.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.377 -0.827 . . . . 0.0 110.164 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.81 -43.57 0.33 Allowed Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.81 111.5 5.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.441 -1.035 . . . . 0.0 110.107 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -132.3 63.75 1.62 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.418 -0.801 . . . . 0.0 110.291 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.3 39.36 2.87 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 pp -167.17 118.14 0.73 Allowed Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.342 -1.093 . . . . 0.0 110.273 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.94 113.21 3.71 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.539 1.284 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -121.74 81.83 1.87 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.409 -0.807 . . . . 0.0 110.208 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.2 mt -70.71 -31.32 68.14 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.337 -0.852 . . . . 0.0 110.238 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.3 t -60.11 -28.75 68.11 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.327 -0.858 . . . . 0.0 110.25 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.2 m -103.52 46.39 0.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.334 -0.853 . . . . 0.0 110.226 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 mtt -135.93 122.12 20.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.352 -0.843 . . . . 0.0 110.214 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.45 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 64.0 p -66.13 -173.17 0.17 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.393 -0.817 . . . . 0.0 110.268 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 93' ' ' ILE . 6.4 mt-10 -61.2 -33.52 73.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.479 -0.763 . . . . 0.0 110.204 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 37.9 mt-10 -82.57 -33.55 28.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.41 -0.807 . . . . 0.0 110.371 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.45 ' HB2' ' N ' ' A' ' 88' ' ' THR . 28.1 mm-40 -57.29 -62.12 2.0 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.24 -0.912 . . . . 0.0 109.844 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -59.34 -29.11 67.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.286 -0.884 . . . . 0.0 109.29 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.1 mt -71.8 -33.53 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.577 -0.702 . . . . 0.0 109.223 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.17 -28.6 69.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.378 -0.826 . . . . 0.0 109.439 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.58 -40.48 16.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.478 -0.764 . . . . 0.0 110.179 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.12 -27.77 48.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.36 -0.838 . . . . 0.0 110.349 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.2 ttm -83.09 -27.74 30.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.88 . . . . 0.0 109.732 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -75.54 -34.91 60.79 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.437 -0.789 . . . . 0.0 109.986 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.7 mmm -80.1 -28.43 39.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.426 -0.796 . . . . 0.0 110.004 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.8 t -76.18 -28.38 57.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.365 -0.834 . . . . 0.0 110.038 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -96.72 26.45 4.51 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.343 -0.848 . . . . 0.0 110.114 179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -86.22 -25.38 25.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.349 -0.844 . . . . 0.0 110.211 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.84 96.72 0.33 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.86 74.78 1.46 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.335 -1.097 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -127.6 29.23 5.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -0.874 . . . . 0.0 110.114 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -113.63 -63.4 1.45 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.375 -0.828 . . . . 0.0 110.211 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.04 94.15 0.09 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -125.61 73.18 1.31 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -1.07 . . . . 0.0 110.224 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -151.15 62.87 0.9 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.339 -0.851 . . . . 0.0 110.205 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -107.2 -44.48 4.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.145 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.96 -44.9 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.452 -0.78 . . . . 0.0 110.238 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.173 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.183 0.516 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.585 ' C ' HD12 ' A' ' 3' ' ' LEU . 0.4 OUTLIER 53.78 178.23 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.374 -0.829 . . . . 0.0 110.556 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 2' ' ' MET . 10.7 mp -113.13 24.7 12.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.57 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.22 68.64 3.48 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mp 52.55 78.61 0.13 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.321 -1.105 . . . . 0.0 110.327 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.4 47.32 0.68 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 52.67 27.02 4.82 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.283 -1.128 . . . . 0.0 110.486 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -111.13 -27.54 8.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.845 . . . . 0.0 110.106 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -22.04 64.86 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.844 . . . . 0.0 110.275 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 31.6 p90 -156.84 118.56 3.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.322 -0.861 . . . . 0.0 110.145 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -135.76 53.74 1.94 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.339 -0.85 . . . . 0.0 110.222 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 53.6 23.62 3.69 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.431 -0.793 . . . . 0.0 110.554 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.96 5.64 6.09 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.15 -31.21 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.189 -1.183 . . . . 0.0 110.384 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.78 170.37 8.6 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.233 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.03 -18.13 31.3 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 O-C-N 123.827 1.436 . . . . 0.0 110.397 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -21.42 66.73 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.318 -0.864 . . . . 0.0 110.289 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.25 -35.55 37.66 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.185 -0.947 . . . . 0.0 110.429 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.37 119.93 0.6 Allowed Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.358 -0.839 . . . . 0.0 110.075 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -75.22 -35.06 3.2 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 O-C-N 123.958 1.504 . . . . 0.0 110.394 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -32.96 74.75 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.359 -0.838 . . . . 0.0 110.159 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -27.75 43.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.503 -0.748 . . . . 0.0 110.203 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.66 -46.69 65.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.795 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -68.85 -40.01 79.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.294 -0.879 . . . . 0.0 110.125 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.59 71.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.305 -0.872 . . . . 0.0 110.177 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -21.63 66.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.286 -0.884 . . . . 0.0 110.165 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -32.81 39.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.355 -0.841 . . . . 0.0 109.078 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 24' ' ' LEU . 86.4 t -69.28 -31.54 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.522 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -40.44 61.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.454 -0.779 . . . . 0.0 109.883 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtp -61.7 -44.43 96.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.422 -0.799 . . . . 0.0 109.977 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.72 -38.91 89.65 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 0.0 109.939 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.56 -36.07 79.58 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.374 -0.829 . . . . 0.0 109.996 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -38.28 89.96 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.366 -0.834 . . . . 0.0 109.852 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -40.23 96.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.394 -0.816 . . . . 0.0 109.963 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.94 -40.12 92.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.43 -0.794 . . . . 0.0 110.048 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -44.61 66.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.451 -0.781 . . . . 0.0 109.903 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.604 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -66.97 -24.33 66.04 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.385 -0.822 . . . . 0.0 110.015 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -83.83 -54.42 4.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.42 -0.8 . . . . 0.0 109.57 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -52.88 -34.25 53.86 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.306 -0.871 . . . . 0.0 109.017 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.01 -34.66 24.26 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.752 -0.592 . . . . 0.0 109.412 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -68.61 -56.43 8.25 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.345 -0.847 . . . . 0.0 109.85 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -59.05 -35.99 74.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.424 -0.797 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -57.61 -49.78 75.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.264 -0.897 . . . . 0.0 109.966 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.15 -27.81 66.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.349 -0.844 . . . . 0.0 109.946 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.75 83.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.392 -0.817 . . . . 0.0 110.032 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.0 68.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 110.062 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.31 -33.9 61.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.417 -0.802 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -68.61 -33.25 73.72 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.329 -0.857 . . . . 0.0 110.095 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.74 -32.71 41.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.152 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.44 -10.94 47.46 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.426 -0.796 . . . . 0.0 110.477 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 24.3 tt0 -111.49 -51.29 2.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.285 -0.884 . . . . 0.0 110.248 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.0 24.8 10.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 110.383 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.93 -55.29 1.77 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.605 ' N ' HD12 ' A' ' 54' ' ' ILE . 4.9 mp -126.97 24.35 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.312 -1.111 . . . . 0.0 110.034 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 51' ' ' GLU . . . -71.74 152.98 42.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.334 -0.854 . . . . 0.0 110.193 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 m -108.68 58.58 0.61 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.354 -0.842 . . . . 0.0 110.187 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.8 p -102.16 -169.5 1.68 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.371 -0.831 . . . . 0.0 110.186 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.87 -64.22 0.02 OUTLIER Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 m -119.48 71.82 0.89 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.36 -1.082 . . . . 0.0 110.167 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -128.67 45.27 2.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.351 -0.843 . . . . 0.0 110.213 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -91.02 -25.79 19.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.397 -0.814 . . . . 0.0 110.219 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.835 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 3.7 p -117.93 79.44 1.36 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.323 -0.86 . . . . 0.0 110.193 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -76.62 -57.14 4.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.328 -0.858 . . . . 0.0 110.173 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -75.05 -29.0 60.61 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.242 -0.911 . . . . 0.0 109.152 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.835 ' HB3' ' HB2' ' A' ' 62' ' ' SER . . . -62.47 -35.75 80.3 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.554 -0.858 . . . . 0.0 108.795 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -31.58 67.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 tt -75.55 -38.05 59.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.478 -0.764 . . . . 0.0 109.508 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -80.57 -53.16 6.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.526 -0.734 . . . . 0.0 110.287 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.4 mmt -55.24 -41.08 71.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.132 -0.98 . . . . 0.0 110.467 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.1 m -66.0 -45.72 80.56 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.288 -0.882 . . . . 0.0 110.37 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.3 tp -80.93 -15.14 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.198 -0.939 . . . . 0.0 110.178 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' LYS . 40.8 t -72.2 -35.3 68.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.377 -0.827 . . . . 0.0 109.704 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -88.4 -25.03 22.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.447 -0.783 . . . . 0.0 110.049 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -87.28 -29.61 21.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -88.08 -31.69 19.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.309 -0.869 . . . . 0.0 110.453 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.01 94.81 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.322 -0.861 . . . . 0.0 110.288 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.87 63.09 0.63 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 53.58 95.69 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.386 -1.067 . . . . 0.0 110.256 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.91 32.13 4.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.431 -0.793 . . . . 0.0 110.34 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -96.36 19.46 54.48 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.94 104.79 0.32 Allowed Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.258 -1.143 . . . . 0.0 110.116 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.52 110.13 2.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.523 1.275 . . . . 0.0 110.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -121.73 28.16 7.79 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 0.0 110.208 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.38 -78.67 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.553 -0.717 . . . . 0.0 110.714 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -68.67 -12.56 61.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.238 -0.913 . . . . 0.0 110.605 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.0 t -73.23 -22.94 60.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.131 -0.98 . . . . 0.0 110.534 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.416 ' HB2' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -109.21 -162.81 0.83 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.294 -0.879 . . . . 0.0 110.474 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.3 p -96.65 170.04 9.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.277 -0.889 . . . . 0.0 110.484 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.17 -36.9 76.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.405 -0.81 . . . . 0.0 109.999 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.478 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 6.0 mt-10 -71.13 -35.95 71.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 109.795 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 87' ' ' MET . 4.9 mm-40 -56.7 -57.51 12.1 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.298 -0.876 . . . . 0.0 109.676 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' HG3' ' CG ' ' A' ' 87' ' ' MET . 56.4 mt-30 -60.53 -32.92 71.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.337 -0.852 . . . . 0.0 109.055 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.478 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -65.19 -40.79 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.795 -0.566 . . . . 0.0 109.512 179.474 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.5 -23.36 67.25 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.27 -0.894 . . . . 0.0 109.733 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -86.34 -36.3 19.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.396 -0.815 . . . . 0.0 110.174 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.99 -31.79 27.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.344 -0.848 . . . . 0.0 110.377 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 27.7 mtt -81.13 -28.4 35.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.742 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -77.97 -43.13 30.6 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.899 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.6 tpp -66.48 -30.45 70.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.424 -0.797 . . . . 0.0 109.855 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 t -81.35 -20.32 40.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.417 -0.802 . . . . 0.0 110.284 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.97 60.15 2.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.277 -0.889 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -158.17 -72.18 0.09 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.237 -0.914 . . . . 0.0 110.163 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.03 37.31 0.08 OUTLIER Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -112.77 81.88 1.56 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -1.088 . . . . 0.0 110.129 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -130.57 88.73 2.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.847 . . . . 0.0 110.209 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -78.02 -51.9 9.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.325 -0.859 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.75 58.88 5.97 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -93.37 62.97 3.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.361 -1.082 . . . . 0.0 110.232 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.17 -63.59 1.43 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.365 -0.835 . . . . 0.0 110.202 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.31 -37.06 80.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.38 -0.825 . . . . 0.0 110.186 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.6 m -115.69 163.64 15.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.317 -0.864 . . . . 0.0 110.241 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.2 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.197 0.522 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -168.71 -168.82 0.93 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.337 -0.852 . . . . 0.0 110.053 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 mt -109.21 22.02 16.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.442 -0.786 . . . . 0.0 109.396 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.27 49.67 0.88 Allowed Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.69 62.72 1.08 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.316 -1.108 . . . . 0.0 110.229 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.05 77.99 0.1 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.31 -71.89 0.14 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -1.052 . . . . 0.0 110.173 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.66 -25.08 26.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -0.814 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.52 -39.76 92.18 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.332 -0.855 . . . . 0.0 110.176 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.27 79.87 3.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.347 -0.846 . . . . 0.0 110.204 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.5 78.18 8.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.346 -0.846 . . . . 0.0 110.093 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -152.45 -51.34 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.307 -0.87 . . . . 0.0 110.105 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.77 30.02 7.75 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 15' ' ' ASP . 35.2 m -128.8 -38.16 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -1.11 . . . . 0.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 14' ' ' VAL . 2.2 m-20 -129.44 142.8 46.49 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.323 -0.861 . . . . 0.0 110.134 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.43 -15.23 34.56 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 O-C-N 123.671 1.353 . . . . 0.0 110.695 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -63.45 -16.84 61.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.273 -0.892 . . . . 0.0 110.303 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.24 75.82 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.165 -0.959 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.42 120.46 0.61 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.103 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -74.76 -34.98 3.69 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 O-C-N 123.974 1.513 . . . . 0.0 110.515 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.44 -38.82 88.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.293 -0.88 . . . . 0.0 110.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -73.24 -30.23 63.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.403 -0.811 . . . . 0.0 110.06 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.64 -55.06 26.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.35 -0.844 . . . . 0.0 109.984 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.868 ' O ' HG23 ' A' ' 28' ' ' VAL . 26.2 tp -63.96 -34.67 78.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.338 -0.851 . . . . 0.0 110.026 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.58 76.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.356 -0.84 . . . . 0.0 110.159 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.866 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.0 tm? -62.81 -26.29 68.67 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 109.841 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -82.34 -25.23 34.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 0.0 109.786 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 24' ' ' LEU . 67.8 t -77.65 -39.48 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.427 -0.796 . . . . 0.0 109.784 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -70.51 -43.13 70.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.371 -0.831 . . . . 0.0 109.877 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.45 -37.55 86.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.388 -0.82 . . . . 0.0 109.976 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -38.47 91.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.447 -0.783 . . . . 0.0 109.966 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.06 -40.78 96.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 109.985 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -38.52 88.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.274 -0.891 . . . . 0.0 110.0 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -35.33 74.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.298 -0.876 . . . . 0.0 109.813 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -59.19 -37.17 76.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.373 -0.83 . . . . 0.0 109.986 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -72.86 -37.99 67.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.41 -0.807 . . . . 0.0 109.969 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.579 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 8.6 mt-30 -72.22 -19.42 61.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.398 -0.814 . . . . 0.0 110.179 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -83.68 -56.04 3.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.575 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -53.97 -31.89 52.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 109.09 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.49 -35.73 22.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.637 -0.664 . . . . 0.0 109.493 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -69.69 -55.34 10.23 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.329 -0.857 . . . . 0.0 109.932 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -59.66 -35.38 74.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.561 -0.712 . . . . 0.0 110.1 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -58.27 -48.01 81.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.373 -0.83 . . . . 0.0 110.145 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.12 -29.25 54.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.393 -0.817 . . . . 0.0 109.982 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.18 -31.08 70.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.346 -0.846 . . . . 0.0 110.093 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.64 -38.2 29.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.422 -0.799 . . . . 0.0 110.087 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.91 -29.3 68.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.205 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.41 -37.1 17.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 110.225 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.98 -24.86 67.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.37 -0.831 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.03 17.34 23.17 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.37 -30.77 12.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.298 -0.876 . . . . 0.0 110.008 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.89 18.16 1.97 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.382 -0.824 . . . . 0.0 110.274 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' C ' HG23 ' A' ' 54' ' ' ILE . . . -111.23 -47.7 0.74 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.614 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 12.4 pt -148.64 -126.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -1.093 . . . . 0.0 110.001 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . 67.26 -70.0 0.12 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.078 -1.014 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.0 p -66.94 79.79 0.12 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.323 -0.86 . . . . 0.0 110.195 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.6 p -141.66 -179.72 6.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.278 -0.889 . . . . 0.0 110.231 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -133.63 41.16 1.5 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 59' ' ' THR . 9.5 t -87.32 65.28 8.67 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.379 -1.071 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -106.92 43.55 1.15 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 0.0 110.159 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -91.6 -32.97 15.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.363 -0.835 . . . . 0.0 110.171 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.2 m -117.48 86.24 2.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.357 -0.839 . . . . 0.0 110.169 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.11 -31.24 68.74 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.396 -0.815 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -76.18 -28.43 57.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.256 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.12 99.31 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.489 -0.885 . . . . 0.0 108.765 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 70' ' ' THR . 0.1 OUTLIER -66.62 -31.04 71.48 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.568 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.31 -42.25 59.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.67 -0.644 . . . . 0.0 109.833 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -52.96 8.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.439 -0.788 . . . . 0.0 110.154 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.3 ttt -49.71 -38.26 32.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.304 -0.873 . . . . 0.0 110.57 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 66' ' ' LEU . 18.0 p -70.67 -42.31 70.92 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.38 -0.825 . . . . 0.0 110.546 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -83.3 -12.92 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.244 -0.91 . . . . 0.0 110.404 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -77.21 -47.45 20.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.325 -0.859 . . . . 0.0 109.845 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -78.9 -24.02 44.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.454 -0.779 . . . . 0.0 110.056 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -83.92 -48.34 10.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.334 -0.854 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -61.7 -43.33 99.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.308 -0.87 . . . . 0.0 110.166 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -96.03 87.01 4.44 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.397 -0.814 . . . . 0.0 110.166 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.21 -53.85 0.32 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.81 107.51 5.27 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.379 -1.071 . . . . 0.0 110.185 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 m -153.08 -40.28 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 110.366 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.57 -28.01 28.22 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.79 93.15 9.67 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.333 -1.098 . . . . 0.0 110.134 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -72.09 122.06 8.09 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.786 1.413 . . . . 0.0 110.357 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.94 120.59 21.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.298 -0.876 . . . . 0.0 110.167 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.2 mt -78.2 -30.05 48.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.335 -0.853 . . . . 0.0 110.144 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -27.06 67.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.358 -0.838 . . . . 0.0 110.224 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.3 t -97.76 34.99 1.76 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.38 -0.825 . . . . 0.0 110.273 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.8 mtt -124.12 136.46 54.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -0.839 . . . . 0.0 110.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.4 p -71.14 173.29 7.83 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.37 -0.832 . . . . 0.0 110.225 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -58.3 -34.41 70.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.406 -0.809 . . . . 0.0 110.249 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.443 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 35.5 mt-10 -80.81 -33.14 34.96 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.384 -0.823 . . . . 0.0 110.086 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.51 -62.09 1.97 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.243 -0.91 . . . . 0.0 109.908 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -60.2 -29.41 68.71 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.291 -0.88 . . . . 0.0 109.421 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -65.36 -46.83 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.578 -0.701 . . . . 0.0 109.436 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.43 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -56.76 -37.68 71.4 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.44 -0.787 . . . . 0.0 109.625 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -82.46 -27.74 31.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.484 -0.76 . . . . 0.0 109.851 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.38 -38.44 63.16 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.449 -0.782 . . . . 0.0 110.144 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.9 mtt -80.34 -22.29 41.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.8 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -44.61 37.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.436 -0.79 . . . . 0.0 110.037 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.9 mmm -70.07 -31.9 69.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.354 -0.841 . . . . 0.0 109.993 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 m -66.47 -49.75 65.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.45 -0.782 . . . . 0.0 110.215 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.22 -19.41 61.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.406 -0.809 . . . . 0.0 110.486 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -57.67 -62.61 1.67 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.241 -0.912 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.97 137.36 3.42 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -165.04 98.34 0.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.333 -1.098 . . . . 0.0 110.18 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -119.25 71.65 0.87 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.394 -0.816 . . . . 0.0 110.201 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -140.11 105.34 5.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.3 -0.875 . . . . 0.0 110.214 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.6 39.92 0.11 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.34 103.37 3.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -1.091 . . . . 0.0 110.172 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.0 30.93 6.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.426 -0.796 . . . . 0.0 110.169 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.65 -31.53 59.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 0.0 110.113 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 p -151.99 -176.53 5.69 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.362 -0.836 . . . . 0.0 110.208 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.164 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo . . . . . 0 N--CA 1.484 0.934 0 N-CA-C 110.436 -0.64 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -61.15 -22.4 64.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.891 . . . . 0.0 110.206 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -16.68 61.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 110.343 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -157.17 116.08 1.99 Allowed Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.294 -0.879 . . . . 0.0 110.137 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.27 -45.02 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 O-C-N 123.928 1.489 . . . . 0.0 110.664 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -61.64 -51.11 69.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.299 -0.875 . . . . 0.0 110.204 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.17 -30.33 71.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.439 -0.788 . . . . 0.0 110.148 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.98 -54.19 45.14 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.364 -0.835 . . . . 0.0 110.106 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 mm? -63.33 -37.48 87.41 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.331 -0.856 . . . . 0.0 110.048 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.4 75.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.402 -0.811 . . . . 0.0 110.029 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -24.88 58.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.441 -0.787 . . . . 0.0 110.202 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.29 -31.23 23.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 0.0 109.463 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 24' ' ' LEU . 60.0 t -80.64 -28.29 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.619 -0.675 . . . . 0.0 109.817 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.7 m -77.75 -46.35 21.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.451 -0.781 . . . . 0.0 110.032 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -40.84 97.99 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.367 -0.833 . . . . 0.0 109.949 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -69.29 -32.35 71.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.406 -0.809 . . . . 0.0 110.043 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.88 -50.97 60.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.382 -0.824 . . . . 0.0 110.076 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -35.55 75.77 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.325 -0.859 . . . . 0.0 110.069 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -46.26 91.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.344 -0.848 . . . . 0.0 110.049 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -59.38 -35.05 73.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.352 -0.843 . . . . 0.0 109.982 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.35 -45.67 65.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.41 -0.806 . . . . 0.0 109.925 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.679 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.0 tt0 -71.58 -23.15 61.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.445 -0.785 . . . . 0.0 110.109 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -83.69 -57.35 3.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.393 -0.817 . . . . 0.0 109.738 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.61 -32.59 42.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.464 -0.773 . . . . 0.0 109.315 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -32.71 23.63 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -66.17 -52.19 50.59 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.857 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 15.4 ptt180 -66.31 -31.64 72.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.339 -0.851 . . . . 0.0 109.825 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 1.1 ttp180 -54.47 -49.24 70.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.319 -0.863 . . . . 0.0 109.195 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.05 -23.76 64.09 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.866 -0.734 . . . . 0.0 109.218 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -69.8 -34.26 73.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.535 -0.728 . . . . 0.0 109.991 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.08 -39.48 12.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.393 -0.817 . . . . 0.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -32.82 74.07 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.39 -0.819 . . . . 0.0 110.139 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 t -89.42 -31.85 17.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.347 -0.846 . . . . 0.0 110.15 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 45' ' ' ALA . . . -64.62 -39.56 93.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.355 -0.841 . . . . 0.0 110.108 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.54 -25.65 12.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.318 -0.864 . . . . 0.0 110.316 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 52.39 79.07 0.12 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.333 -0.854 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 52.18 27.12 4.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.395 -0.816 . . . . 0.0 110.487 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.234 0.54 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -76.09 -31.02 58.51 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.236 -0.915 . . . . 0.0 109.095 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.05 97.95 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.759 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.59 -30.63 71.72 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -37.94 60.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.6 -0.688 . . . . 0.0 109.632 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -79.19 -57.39 3.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.413 -0.804 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -37.26 50.32 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.223 -0.923 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.0 m -68.4 -44.17 75.64 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.367 -0.833 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.1 tp -82.03 -15.38 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.234 -0.916 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.7 p -71.96 -41.97 67.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.37 -0.831 . . . . 0.0 109.676 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -29.21 33.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.469 -0.769 . . . . 0.0 109.918 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.437 -0.789 . . . . 0.0 110.149 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.136 0.493 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.5 p -59.75 -25.53 64.93 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.376 -0.828 . . . . 0.0 110.417 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -96.18 41.15 1.11 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.303 -0.873 . . . . 0.0 110.286 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.495 ' HE3' ' HG2' ' A' ' 92' ' ' GLN . 26.7 mtm -150.67 138.17 19.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.319 -0.863 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.7 p -62.1 175.41 0.71 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.15 -33.37 72.08 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.343 -0.848 . . . . 0.0 110.206 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 5.4 mp0 -81.51 -34.73 31.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.29 -0.881 . . . . 0.0 109.997 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.85 -58.9 5.92 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.344 -0.847 . . . . 0.0 109.866 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.495 ' HG2' ' HE3' ' A' ' 87' ' ' MET . 62.3 mt-30 -62.01 -30.96 71.31 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.376 -0.827 . . . . 0.0 109.301 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -66.69 -40.08 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.501 -0.749 . . . . 0.0 109.586 179.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.27 91.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.436 -0.79 . . . . 0.0 109.624 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -65.87 -39.59 90.85 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.451 -0.78 . . . . 0.0 109.978 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.11 78.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.467 -0.771 . . . . 0.0 110.255 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.43 -27.9 41.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.0 109.577 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -63.34 -34.75 78.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.452 -0.78 . . . . 0.0 109.74 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -28.43 30.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.494 -0.754 . . . . 0.0 110.024 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.7 m -95.06 11.08 33.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.57 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.223 -0.923 . . . . 0.0 110.105 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.697 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 37.0 Cg_endo . . . . . 0 N--CA 1.483 0.882 0 CA-C-O 121.773 0.655 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.7 t 70.28 47.3 0.55 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 44.64 27.27 0.24 Allowed 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.798 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.44 119.06 0.58 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.26 -0.9 . . . . 0.0 110.265 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -73.49 -36.23 4.11 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 O-C-N 123.949 1.499 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -63.42 -49.52 73.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.389 -0.819 . . . . 0.0 110.172 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -29.26 66.53 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.263 -0.898 . . . . 0.0 110.058 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.697 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . . . -66.08 -44.5 84.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.372 -0.83 . . . . 0.0 110.065 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -73.39 -38.6 65.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.325 -0.859 . . . . 0.0 110.138 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.73 91.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.329 -0.857 . . . . 0.0 110.134 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.09 -21.43 62.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.267 -0.895 . . . . 0.0 110.214 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -79.19 -27.72 42.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -0.896 . . . . 0.0 109.165 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 24' ' ' LEU . 65.1 t -79.18 -27.81 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.6 -0.688 . . . . 0.0 109.679 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 t -76.25 -47.91 22.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.407 -0.808 . . . . 0.0 110.021 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.6 tpt -61.99 -40.57 96.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 110.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -63.22 -37.72 88.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.428 -0.795 . . . . 0.0 110.053 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.87 -37.14 85.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.323 -0.861 . . . . 0.0 110.052 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.86 -41.47 74.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.805 . . . . 0.0 110.085 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -47.0 88.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.388 -0.82 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -60.06 -40.63 90.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.396 -0.815 . . . . 0.0 110.142 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -70.48 -43.95 68.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.412 -0.805 . . . . 0.0 109.989 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 15.1 mm100 -73.95 -18.14 60.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.385 -0.822 . . . . 0.0 110.19 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.4 -59.23 2.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.43 -0.794 . . . . 0.0 109.698 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -53.17 -31.27 41.8 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.438 -0.789 . . . . 0.0 109.337 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -84.26 -35.2 23.55 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.58 -0.7 . . . . 0.0 109.695 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -73.37 -55.0 6.96 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.214 -0.929 . . . . 0.0 110.008 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -58.35 -47.2 84.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.443 -0.786 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -46.37 70.63 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.287 -0.883 . . . . 0.0 110.08 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.53 -24.7 63.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.464 -0.772 . . . . 0.0 109.854 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.2 -34.08 49.65 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 110.07 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.84 -39.25 64.14 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.366 -0.834 . . . . 0.0 110.155 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.51 -41.62 75.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -71.62 -17.97 62.24 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.28 -0.887 . . . . 0.0 110.433 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.53 -31.23 29.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.251 -0.905 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.81 -18.89 14.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.337 -0.852 . . . . 0.0 110.504 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -99.8 -57.36 2.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.201 -0.937 . . . . 0.0 110.176 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.04 4.99 45.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.383 -0.823 . . . . 0.0 110.594 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 121.081 0.467 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -72.21 -29.56 64.07 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.078 -1.013 . . . . 0.0 109.223 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.62 85.15 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 119.505 -0.878 . . . . 0.0 108.902 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.77 -29.7 69.57 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tt -77.6 -34.93 53.33 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.506 -0.746 . . . . 0.0 109.766 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.6 -56.86 3.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -0.782 . . . . 0.0 110.733 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -41.05 69.89 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.138 -0.976 . . . . 0.0 110.725 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.6 m -68.64 -41.09 79.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.197 -0.94 . . . . 0.0 110.686 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' A' ' 71' ' ' ILE . 5.9 tp -82.1 -18.37 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.133 -0.98 . . . . 0.0 110.061 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.0 m -71.95 -37.5 69.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.302 -0.874 . . . . 0.0 109.883 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.94 -28.32 27.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.43 -0.794 . . . . 0.0 110.206 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.288 -0.882 . . . . 0.0 110.381 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.199 0.524 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.7 t -56.21 -26.62 51.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.264 -0.897 . . . . 0.0 110.382 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.5 t -94.06 43.94 1.11 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.859 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.442 ' CG ' ' HB3' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -147.28 126.0 12.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.87 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.424 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 71.5 p -60.45 -177.93 0.08 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.365 -0.834 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.41 -33.28 73.43 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.408 -0.808 . . . . 0.0 110.263 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 8.1 mt-10 -82.82 -33.41 27.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.399 -0.813 . . . . 0.0 110.022 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.442 ' HB3' ' CG ' ' A' ' 87' ' ' MET . 44.4 mm-40 -56.8 -62.02 2.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.257 -0.902 . . . . 0.0 109.807 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -57.44 -31.48 65.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.337 -0.852 . . . . 0.0 109.12 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.449 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.9 OUTLIER -67.25 -38.17 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.09 -34.66 72.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.402 -0.811 . . . . 0.0 109.481 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.9 -46.73 17.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.506 -0.746 . . . . 0.0 109.863 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.65 92.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.465 -0.772 . . . . 0.0 110.224 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.2 mmt -76.53 -23.98 53.67 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.298 -0.876 . . . . 0.0 109.658 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -47.88 81.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 109.923 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.1 mmm -73.21 -29.89 63.13 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.454 -0.779 . . . . 0.0 110.029 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -12.3 61.14 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.485 -0.76 . . . . 0.0 110.435 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.2 -0.938 . . . . 0.0 110.292 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo . . . . . 0 N--CA 1.485 0.973 0 N-CA-C 110.527 -0.605 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -21.75 66.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.309 -0.87 . . . . 0.0 110.222 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.5 67.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.238 -0.914 . . . . 0.0 110.338 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.72 119.83 0.65 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 0.0 110.239 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -75.55 -38.62 1.3 Allowed 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.982 1.517 . . . . 0.0 110.373 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.32 -48.06 83.05 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.29 -0.881 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.39 -30.64 71.35 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.321 -0.862 . . . . 0.0 110.153 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.81 95.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -0.807 . . . . 0.0 110.237 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 28' ' ' VAL . 7.7 mt -72.05 -41.53 67.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.326 -0.859 . . . . 0.0 110.251 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.25 92.69 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.284 -0.885 . . . . 0.0 109.963 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -72.97 -21.52 60.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.49 -0.756 . . . . 0.0 110.144 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -83.74 -26.68 29.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.335 -0.853 . . . . 0.0 109.805 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 24' ' ' LEU . 57.9 t -77.73 -35.19 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.468 -0.77 . . . . 0.0 109.899 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -77.44 -35.54 53.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.39 -0.819 . . . . 0.0 110.021 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 ttt -68.76 -38.51 80.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 109.949 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.74 -36.83 76.16 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.397 -0.814 . . . . 0.0 109.989 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.94 -50.99 60.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.059 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -35.38 70.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.368 -0.832 . . . . 0.0 110.037 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -46.92 80.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.415 -0.803 . . . . 0.0 110.064 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.92 -51.12 62.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.342 -0.849 . . . . 0.0 110.274 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -50.01 34.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.44 -0.788 . . . . 0.0 110.027 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 8.2 tp-100 -58.35 -23.65 57.46 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.331 -0.855 . . . . 0.0 110.068 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 42.6 tt0 -73.28 -64.06 1.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.409 -0.807 . . . . 0.0 109.058 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.45 -29.76 11.06 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.409 -0.807 . . . . 0.0 109.117 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -26.76 26.22 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.662 -0.649 . . . . 0.0 109.65 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -85.72 -20.44 29.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.259 -0.901 . . . . 0.0 109.277 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' A' ' 38' ' ' GLU . 5.6 mpt_? -82.35 -38.11 24.68 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.666 -0.646 . . . . 0.0 109.583 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 43' ' ' ARG . 4.3 tpp180 -75.07 -35.21 61.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.5 -0.75 . . . . 0.0 109.683 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.98 74.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.433 -0.792 . . . . 0.0 109.947 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.44 -35.14 54.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.425 -0.797 . . . . 0.0 110.065 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -51.08 64.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.49 -0.756 . . . . 0.0 110.176 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.92 -28.62 69.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.838 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.7 t -75.18 -42.36 55.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.386 -0.821 . . . . 0.0 110.206 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.13 70.24 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.399 -0.813 . . . . 0.0 110.247 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.66 -11.53 59.87 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.402 -0.811 . . . . 0.0 110.556 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -92.09 -58.13 2.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.266 -0.896 . . . . 0.0 110.184 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.45 -12.27 22.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.36 -0.837 . . . . 0.0 110.529 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.833 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.292 0.568 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.41 -29.12 56.93 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.197 -0.939 . . . . 0.0 109.305 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.64 84.99 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.742 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.66 -30.74 67.43 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.614 ' O ' HD23 ' A' ' 67' ' ' LEU . 3.4 tt -76.12 -38.26 57.08 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.588 -0.695 . . . . 0.0 109.737 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.6 mptt -83.45 -55.05 4.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.435 -0.791 . . . . 0.0 110.501 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -42.8 67.1 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.232 -0.917 . . . . 0.0 110.633 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.0 m -67.95 -42.21 81.29 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.367 -0.833 . . . . 0.0 110.563 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 tp -84.15 -8.4 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.243 -0.91 . . . . 0.0 110.493 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . 48.3 t -80.47 -49.17 11.77 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.884 . . . . 0.0 109.909 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -81.64 -21.64 38.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.388 -0.82 . . . . 0.0 110.15 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 0.0 110.371 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.4 mt . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.269 0.557 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.5 p -66.92 -29.41 69.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.341 -0.849 . . . . 0.0 110.345 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 t -100.36 35.69 2.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.375 -0.828 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 13.0 mtt -120.35 130.61 54.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.318 -0.864 . . . . 0.0 110.185 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.8 p -72.22 174.99 6.46 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.36 -0.837 . . . . 0.0 110.099 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.94 -27.61 63.55 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.453 -0.78 . . . . 0.0 110.182 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.432 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 2.3 mp0 -84.55 -36.12 22.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.279 -0.888 . . . . 0.0 110.027 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -62.34 1.74 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.29 -0.881 . . . . 0.0 109.852 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -59.18 -29.66 67.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 109.348 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -65.42 -47.01 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.572 -0.705 . . . . 0.0 109.368 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.437 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -58.5 -24.61 60.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.317 -0.865 . . . . 0.0 109.64 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.7 -45.15 19.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.456 -0.777 . . . . 0.0 110.045 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.7 -29.59 59.02 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.489 -0.757 . . . . 0.0 110.375 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.583 ' O ' HD12 ' A' ' 101' ' ' LEU . 3.6 ttm -79.57 -24.04 42.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.261 -0.899 . . . . 0.0 109.702 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -80.01 -28.8 39.38 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.499 -0.751 . . . . 0.0 110.067 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.6 mtt -85.27 -21.39 29.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.385 -0.822 . . . . 0.0 110.435 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.6 p -90.46 -27.84 18.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -0.904 . . . . 0.0 110.467 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 97' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.287 -0.883 . . . . 0.0 110.461 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 N--CA 1.485 1.029 0 N-CA-C 110.727 -0.528 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -63.13 -17.18 62.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.296 -0.877 . . . . 0.0 110.295 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.04 -11.01 60.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.259 -0.9 . . . . 0.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -153.16 113.44 2.68 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 0.0 110.124 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -73.86 -38.07 2.52 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 O-C-N 124.004 1.528 . . . . 0.0 110.378 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.93 -46.27 75.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.391 -0.818 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 22' ' ' LEU . 10.1 mp -69.08 -29.39 67.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.402 -0.811 . . . . 0.0 109.978 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.88 97.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.469 -0.769 . . . . 0.0 110.083 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -68.48 -39.84 81.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 109.999 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -34.98 79.73 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.397 -0.814 . . . . 0.0 109.957 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -71.23 -24.12 62.13 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.334 -0.854 . . . . 0.0 110.2 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -85.22 -30.66 23.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.0 109.492 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 24' ' ' LEU . 94.8 t -75.92 -33.86 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.571 -0.706 . . . . 0.0 109.752 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -41.04 56.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.427 -0.796 . . . . 0.0 109.902 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.6 ttt -65.41 -35.26 80.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 0.0 109.794 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -33.95 62.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.813 . . . . 0.0 110.057 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -49.1 76.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.349 -0.844 . . . . 0.0 109.923 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.82 -35.75 80.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.426 -0.796 . . . . 0.0 109.86 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -67.74 -40.26 84.17 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.479 -0.763 . . . . 0.0 110.055 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.04 -40.37 93.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.404 -0.81 . . . . 0.0 110.059 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -71.19 -39.75 71.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.498 -0.751 . . . . 0.0 109.982 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.66 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -73.35 -26.06 60.86 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.342 -0.849 . . . . 0.0 109.992 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -83.87 -58.08 2.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.429 -0.794 . . . . 0.0 109.416 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -32.71 29.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.56 -0.712 . . . . 0.0 109.266 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -84.64 -33.88 23.18 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.21 -52.61 58.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.422 -0.799 . . . . 0.0 109.59 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 28.2 ptt180 -65.38 -30.82 71.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.391 -0.818 . . . . 0.0 109.497 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -44.38 69.28 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.429 -0.794 . . . . 0.0 109.234 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.83 -23.78 58.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.579 -0.701 . . . . 0.0 109.368 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.547 ' O ' ' HB2' ' A' ' 49' ' ' ALA . . . -70.1 -33.99 72.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.456 -0.777 . . . . 0.0 110.016 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.48 -44.2 16.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.307 -0.871 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.71 78.7 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.424 -0.797 . . . . 0.0 110.091 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -84.4 -29.43 26.19 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.274 -0.891 . . . . 0.0 110.129 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 45' ' ' ALA . . . -61.37 -34.75 75.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -0.832 . . . . 0.0 110.222 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.43 -24.73 39.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.361 -0.837 . . . . 0.0 110.238 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -97.01 -67.94 0.82 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.401 -0.812 . . . . 0.0 110.315 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.4 29.86 3.44 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.405 -0.809 . . . . 0.0 110.333 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 -179.815 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.21 0.529 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -76.17 -28.95 57.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 0.0 109.323 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.91 -43.82 98.06 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.953 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -30.01 70.5 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.75 -0.834 . . . . 0.0 108.75 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.473 HD23 ' HD3' ' A' ' 68' ' ' LYS . 8.0 tt -73.37 -44.63 58.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.528 -0.733 . . . . 0.0 109.78 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.473 ' HD3' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -79.96 -56.59 4.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.47 -0.769 . . . . 0.0 110.235 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.7 ttt -48.54 -39.72 24.47 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.342 -0.849 . . . . 0.0 110.778 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.2 m -70.6 -40.58 73.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.378 -0.826 . . . . 0.0 110.463 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.2 tp -81.5 -16.46 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.052 -1.03 . . . . 0.0 110.053 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -73.88 -39.05 64.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.286 -0.884 . . . . 0.0 109.553 179.401 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -82.13 -23.13 35.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.55 -0.718 . . . . 0.0 110.112 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.307 -0.871 . . . . 0.0 110.174 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.149 0.499 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.3 p -60.72 -26.37 67.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.364 -0.835 . . . . 0.0 110.261 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 m -106.15 37.43 2.28 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.324 -0.86 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 18.6 mtt -112.61 137.24 51.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.421 -0.799 . . . . 0.0 110.135 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.6 p -75.89 171.57 14.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.444 -0.785 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.21 -29.84 64.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.395 -0.816 . . . . 0.0 110.282 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 19.4 mt-10 -83.53 -34.83 25.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.341 -0.849 . . . . 0.0 109.884 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.86 -62.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.382 -0.824 . . . . 0.0 109.859 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.54 -29.85 69.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.415 -0.803 . . . . 0.0 109.516 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.44 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -66.85 -40.74 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.596 -0.69 . . . . 0.0 109.463 179.47 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.15 -29.67 70.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.435 -0.791 . . . . 0.0 109.632 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -84.73 -40.87 16.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.448 -0.782 . . . . 0.0 109.95 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.32 -29.03 61.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.356 -0.84 . . . . 0.0 110.136 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.6 tpt -82.61 -26.49 32.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.326 -0.859 . . . . 0.0 109.778 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.15 -41.39 67.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.379 -0.826 . . . . 0.0 110.005 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.4 tpp -75.19 -27.59 59.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.365 -0.834 . . . . 0.0 110.169 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.9 t -71.57 -27.39 63.12 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.4 -0.812 . . . . 0.0 110.284 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 110.197 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 N--CA 1.486 1.053 0 N-CA-C 110.657 -0.555 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -16.6 58.91 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.242 -0.911 . . . . 0.0 110.387 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.64 -29.33 64.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.245 -0.91 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.17 118.66 0.74 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.0 110.032 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.85 -29.22 12.63 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 123.973 1.512 . . . . 0.0 110.415 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -43.23 93.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.329 -0.857 . . . . 0.0 109.887 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.66 -27.94 64.41 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.39 -0.819 . . . . 0.0 109.982 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.92 -52.86 61.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.416 -0.803 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.79 -38.06 85.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 110.165 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.503 ' O ' HG12 ' A' ' 28' ' ' VAL . . . -52.5 -39.34 61.15 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.302 -0.874 . . . . 0.0 110.463 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 26' ' ' LEU . 28.4 tp -80.71 -21.32 41.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.164 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.6 -32.69 31.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 0.0 109.157 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 25' ' ' ALA . 14.2 p -77.51 -25.42 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.602 -0.686 . . . . 0.0 109.852 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -48.85 13.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.485 -0.759 . . . . 0.0 110.049 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -28.48 69.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.46 -0.775 . . . . 0.0 110.176 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -75.94 -41.5 51.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.326 -0.859 . . . . 0.0 110.397 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.31 -53.31 59.22 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.248 -0.907 . . . . 0.0 110.337 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.96 -30.2 68.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.363 -0.836 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -51.43 62.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.118 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -56.95 -33.77 67.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.433 -0.792 . . . . 0.0 110.229 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -57.23 8.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.0 110.036 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.647 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 9.2 tt0 -72.65 -17.37 61.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.398 -0.814 . . . . 0.0 110.282 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -83.92 -59.91 2.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.333 -0.854 . . . . 0.0 109.634 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -50.91 -31.65 18.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.439 -0.788 . . . . 0.0 109.349 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -84.27 -35.33 23.45 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -65.8 -55.35 17.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.468 -0.77 . . . . 0.0 109.71 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 27.5 ptt180 -63.44 -31.97 73.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.815 . . . . 0.0 109.677 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -47.32 70.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.419 -0.801 . . . . 0.0 109.284 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.51 58.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.487 -0.758 . . . . 0.0 109.235 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -63.8 -32.45 73.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.503 -0.748 . . . . 0.0 110.013 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.82 -27.43 22.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.44 -0.787 . . . . 0.0 110.168 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.49 -21.59 55.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.39 -0.819 . . . . 0.0 110.288 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.6 -33.39 8.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.285 -0.884 . . . . 0.0 110.359 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.93 69.23 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.408 -0.808 . . . . 0.0 110.344 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.08 27.34 5.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.303 -0.873 . . . . 0.0 110.209 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -153.85 -47.3 0.09 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.355 -0.84 . . . . 0.0 110.13 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.92 17.86 22.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.328 -0.858 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.233 0.54 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -76.62 -30.09 56.76 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.144 -0.972 . . . . 0.0 109.356 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.53 96.61 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.515 -0.874 . . . . 0.0 108.868 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.6 -28.65 69.77 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' ' 67' ' ' LEU . 10.1 tt -76.38 -41.04 49.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.591 -0.693 . . . . 0.0 109.981 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -53.85 5.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.522 -0.736 . . . . 0.0 110.586 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.2 mtt -53.57 -41.36 66.43 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.119 -0.988 . . . . 0.0 110.597 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.8 m -69.95 -37.84 75.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.264 -0.898 . . . . 0.0 110.699 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 tp -84.2 -17.59 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.063 -1.023 . . . . 0.0 110.209 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -37.49 64.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.732 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -89.15 -23.15 22.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.449 -0.782 . . . . 0.0 110.169 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.836 . . . . 0.0 110.308 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.119 0.485 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.7 m -59.81 -29.82 68.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.302 -0.874 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -97.94 28.94 3.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.38 -0.825 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.9 mtt -122.41 141.67 51.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.44 -0.787 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.409 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 61.9 p -76.73 177.72 7.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -0.861 . . . . 0.0 110.18 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.84 -33.33 71.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.383 -0.823 . . . . 0.0 110.24 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 7.4 mp0 -80.92 -34.67 33.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.029 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.409 ' HB2' ' N ' ' A' ' 88' ' ' THR . 2.3 mm-40 -55.22 -61.94 1.99 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.325 -0.859 . . . . 0.0 109.899 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -60.16 -29.34 68.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.366 -0.834 . . . . 0.0 109.528 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.5 OUTLIER -67.93 -39.7 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.524 -0.735 . . . . 0.0 109.551 179.636 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.67 -28.26 69.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.322 -0.861 . . . . 0.0 109.737 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -85.03 -34.25 22.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.463 -0.773 . . . . 0.0 110.138 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.27 -30.47 30.63 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.413 -0.804 . . . . 0.0 110.466 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.4 ttt -83.7 -33.4 25.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.237 -0.915 . . . . 0.0 109.634 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -70.63 -39.98 73.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.507 -0.745 . . . . 0.0 109.887 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.2 mtp -77.29 -22.88 51.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.447 -0.783 . . . . 0.0 110.159 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.4 t -70.72 -41.44 71.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.321 -0.862 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.298 -0.876 . . . . 0.0 110.591 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.796 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 37.0 Cg_endo . . . . . 0 N--CA 1.484 0.92 0 CA-C-O 121.714 0.631 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER 69.67 47.31 0.65 Allowed 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 -179.393 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 43.18 29.68 0.23 Allowed 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.768 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.18 117.77 0.92 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.284 -0.885 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -75.08 -36.56 2.43 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 O-C-N 124.007 1.53 . . . . 0.0 110.299 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.46 -39.73 84.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.465 -0.772 . . . . 0.0 110.116 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -33.11 72.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.375 -0.828 . . . . 0.0 109.869 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.796 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . . . -61.87 -48.01 82.45 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.406 -0.809 . . . . 0.0 110.133 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.9 mm? -67.74 -28.53 67.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.378 -0.826 . . . . 0.0 110.132 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.72 84.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.337 -0.852 . . . . 0.0 110.191 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -72.36 -21.56 61.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.3 -0.875 . . . . 0.0 110.279 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -29.88 35.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.895 . . . . 0.0 109.305 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 24' ' ' LEU . 64.1 t -81.5 -27.18 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.561 -0.712 . . . . 0.0 109.839 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.3 m -76.63 -36.87 57.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.535 -0.728 . . . . 0.0 110.099 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.1 ttp -76.0 -28.14 57.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.22 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -33.97 51.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.355 -0.84 . . . . 0.0 110.063 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.87 -43.34 68.61 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.359 -0.838 . . . . 0.0 110.106 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -67.62 -28.33 67.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.521 -0.737 . . . . 0.0 110.053 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -47.94 18.5 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.206 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -59.8 -45.3 92.77 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 0.0 110.108 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -64.74 -46.44 82.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.839 . . . . 0.0 109.999 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.7 mm100 -72.8 -22.12 60.87 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 110.171 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -83.93 -63.02 1.42 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.485 -0.759 . . . . 0.0 109.601 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.79 -31.08 25.61 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.263 -0.898 . . . . 0.0 109.344 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -81.45 -38.59 26.17 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.622 -0.674 . . . . 0.0 109.4 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -73.29 -56.67 4.77 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.35 -0.844 . . . . 0.0 109.894 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -51.94 -41.29 61.92 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.478 -0.764 . . . . 0.0 110.269 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -60.65 -42.48 97.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.45 -0.781 . . . . 0.0 110.048 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.35 -32.06 73.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.44 -0.787 . . . . 0.0 109.97 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.4 -36.79 53.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -0.793 . . . . 0.0 110.133 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.9 95.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.347 -0.845 . . . . 0.0 110.151 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.02 -28.23 63.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -0.862 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 t -64.41 -62.86 1.34 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.367 -0.833 . . . . 0.0 110.154 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.22 68.77 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.415 -0.803 . . . . 0.0 110.182 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.21 -23.9 57.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.363 -0.836 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.78 -30.29 62.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.317 -0.864 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.15 33.76 3.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.263 -0.898 . . . . 0.0 110.286 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 t0 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.212 0.53 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.04 -31.88 50.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.18 -0.95 . . . . 0.0 109.367 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.49 83.15 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.496 -0.881 . . . . 0.0 108.706 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 tp -70.17 -30.48 67.63 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 67' ' ' LEU . 4.0 tt -76.75 -35.44 57.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.581 -0.699 . . . . 0.0 109.706 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HA ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -84.39 -55.33 4.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.45 -0.781 . . . . 0.0 110.408 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.0 tpt -53.73 -44.67 70.07 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.196 -0.94 . . . . 0.0 110.498 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.1 m -66.72 -42.79 85.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.298 -0.876 . . . . 0.0 110.511 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 68' ' ' LYS . 5.5 tp -82.95 -8.48 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.187 -0.946 . . . . 0.0 110.433 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' LYS . 26.1 t -81.21 -37.82 28.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.29 -0.881 . . . . 0.0 109.842 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -89.04 -21.94 23.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.494 -0.754 . . . . 0.0 110.307 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.276 -0.89 . . . . 0.0 110.365 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.505 HD23 ' HE3' ' A' ' 87' ' ' MET . 17.4 mt . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.285 0.564 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.1 p -60.92 -30.97 70.52 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.267 -0.895 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.1 m -97.23 33.68 1.92 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.391 -0.818 . . . . 0.0 110.114 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.505 ' HE3' HD23 ' A' ' 84' ' ' LEU . 6.7 mtm -129.74 121.25 26.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.834 . . . . 0.0 110.248 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.7 p -66.55 -178.42 0.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.41 -0.806 . . . . 0.0 110.284 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.68 -35.46 76.33 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.38 -0.825 . . . . 0.0 110.197 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 17.7 mt-10 -80.12 -32.65 39.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 110.041 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.04 -61.97 2.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.263 -0.898 . . . . 0.0 109.774 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.405 ' OE1' HD22 ' A' ' 84' ' ' LEU . 31.8 mt-30 -59.7 -25.43 64.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.374 -0.829 . . . . 0.0 109.603 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.6 OUTLIER -71.77 -44.83 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.426 -0.796 . . . . 0.0 109.626 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.41 69.99 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.284 -0.885 . . . . 0.0 109.559 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -82.41 -50.48 8.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.528 -0.733 . . . . 0.0 109.829 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.51 73.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.483 -0.76 . . . . 0.0 109.964 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.493 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.1 ttm -77.26 -25.61 51.66 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.321 -0.862 . . . . 0.0 109.548 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -43.66 98.36 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.506 -0.747 . . . . 0.0 110.017 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.8 mtt -76.52 -34.58 58.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.437 -0.789 . . . . 0.0 110.13 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -23.92 67.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.381 -0.824 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 97' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 N--CA 1.484 0.947 0 N-CA-C 110.74 -0.523 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -13.09 61.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.295 -0.878 . . . . 0.0 110.508 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.5 -8.06 57.2 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.191 -0.943 . . . . 0.0 110.598 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.27 122.37 0.67 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 110.009 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -76.32 -36.36 1.84 Allowed 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.968 1.509 . . . . 0.0 110.457 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.99 -35.03 77.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.352 -0.842 . . . . 0.0 109.996 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -31.49 59.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.816 . . . . 0.0 110.098 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.79 -29.53 64.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.319 -0.863 . . . . 0.0 109.942 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 28' ' ' VAL . 31.3 tp -76.05 -39.92 54.48 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.429 -0.794 . . . . 0.0 109.956 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.45 77.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.418 -0.801 . . . . 0.0 110.125 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -22.6 39.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.346 -0.846 . . . . 0.0 110.173 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -86.6 -26.87 24.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.275 -0.89 . . . . 0.0 109.775 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 24' ' ' LEU . 88.8 t -81.66 -29.63 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.449 -0.782 . . . . 0.0 109.97 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.2 m -81.67 -45.21 16.06 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.438 -0.789 . . . . 0.0 110.144 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.0 tpt -68.22 -41.23 81.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.486 -0.759 . . . . 0.0 110.163 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -66.14 -36.42 83.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.397 -0.814 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.12 -39.93 95.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.354 -0.842 . . . . 0.0 110.238 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.79 -39.99 87.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.33 -0.856 . . . . 0.0 110.269 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -37.34 81.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.395 -0.816 . . . . 0.0 110.202 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.53 -45.9 92.13 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.378 -0.826 . . . . 0.0 110.228 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -69.86 -34.3 73.42 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.273 -0.892 . . . . 0.0 110.202 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.692 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -78.58 -28.17 45.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.843 . . . . 0.0 110.165 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -83.99 -58.71 2.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.484 -0.76 . . . . 0.0 109.663 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -52.54 -31.77 37.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.474 -0.766 . . . . 0.0 109.439 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -84.55 -34.07 23.33 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.84 -53.78 41.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.468 -0.77 . . . . 0.0 109.662 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.522 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.5 ptt180 -65.97 -31.15 71.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.365 -0.834 . . . . 0.0 109.662 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -46.3 70.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.44 -0.787 . . . . 0.0 109.452 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.02 61.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.557 -0.715 . . . . 0.0 109.441 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -64.18 -32.35 73.9 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.478 -0.764 . . . . 0.0 110.048 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.62 -37.73 20.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.367 -0.833 . . . . 0.0 110.21 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.03 -29.16 68.89 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.382 -0.824 . . . . 0.0 110.227 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.07 -27.5 23.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 110.188 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.58 -29.05 51.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.192 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.55 -1.18 40.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.322 -0.861 . . . . 0.0 110.547 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.71 -31.83 69.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.187 -0.945 . . . . 0.0 110.182 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.1 -15.39 8.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.388 -0.82 . . . . 0.0 110.706 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t70 . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 121.124 0.488 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -78.53 -33.73 47.73 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.277 -0.889 . . . . 0.0 109.112 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.35 81.96 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.518 -0.873 . . . . 0.0 108.719 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.14 -30.46 68.71 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.23 -37.73 57.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.545 -0.722 . . . . 0.0 109.465 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -79.39 -54.84 5.54 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.561 -0.712 . . . . 0.0 110.358 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 37.7 mtm -52.15 -40.3 61.19 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.182 -0.949 . . . . 0.0 110.628 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.8 m -67.67 -42.03 82.81 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.342 -0.848 . . . . 0.0 110.545 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 tp -85.21 -13.11 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.18 -0.95 . . . . 0.0 110.418 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.4 t -76.43 -36.74 57.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.205 -0.934 . . . . 0.0 109.759 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -89.99 -25.72 20.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.451 -0.781 . . . . 0.0 110.053 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.434 -0.791 . . . . 0.0 110.194 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.182 0.515 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 p -61.39 -32.43 72.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.328 -0.857 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.6 p -98.9 27.42 4.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.366 -0.834 . . . . 0.0 110.21 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 mtt -115.5 125.23 52.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.366 -0.834 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.412 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 69.0 p -67.39 179.31 1.3 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.428 -0.795 . . . . 0.0 110.187 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -60.08 -36.08 76.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.392 -0.817 . . . . 0.0 110.243 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 16.5 mt-10 -79.04 -33.34 44.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.868 . . . . 0.0 110.119 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.412 ' HB2' ' N ' ' A' ' 88' ' ' THR . 2.1 mm-40 -56.64 -61.51 2.37 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.304 -0.873 . . . . 0.0 110.001 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.7 -22.9 65.74 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.424 -0.798 . . . . 0.0 109.811 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.5 OUTLIER -74.03 -45.17 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.442 -0.786 . . . . 0.0 109.83 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.01 -31.33 70.95 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.25 -0.906 . . . . 0.0 109.758 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.4 -49.73 7.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -0.759 . . . . 0.0 110.019 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.6 77.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.437 -0.789 . . . . 0.0 110.013 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.9 ttp -81.02 -25.39 37.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.354 -0.841 . . . . 0.0 109.785 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.77 -42.18 97.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.514 -0.741 . . . . 0.0 109.979 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 36.8 mtt -82.8 -27.5 30.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.388 -0.82 . . . . 0.0 110.233 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 t -73.31 -21.2 60.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.258 -0.901 . . . . 0.0 110.515 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 O-C-N 121.269 -0.895 . . . . 0.0 110.269 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo . . . . . 0 N--CA 1.483 0.909 0 N-CA-C 110.388 -0.659 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -66.53 -23.76 66.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.151 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.31 -19.65 56.07 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.29 -0.881 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.6 119.88 0.73 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.307 -0.871 . . . . 0.0 109.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.37 -38.35 2.67 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 O-C-N 123.943 1.496 . . . . 0.0 110.407 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -39.54 92.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.355 -0.84 . . . . 0.0 109.961 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.04 -31.95 72.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.396 -0.815 . . . . 0.0 110.041 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.26 -51.5 56.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.331 -0.856 . . . . 0.0 110.185 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -39.24 84.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.87 . . . . 0.0 110.115 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.39 71.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.341 -0.849 . . . . 0.0 110.091 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -72.4 -23.59 61.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.359 -0.838 . . . . 0.0 110.221 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -80.45 -28.76 37.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.851 . . . . 0.0 109.167 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.9 t -77.67 -29.84 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.619 -0.676 . . . . 0.0 109.64 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -76.61 -35.68 57.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.485 -0.759 . . . . 0.0 110.125 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -43.05 74.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.352 -0.843 . . . . 0.0 109.954 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -39.4 94.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.364 -0.835 . . . . 0.0 110.002 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -42.85 99.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.322 -0.862 . . . . 0.0 109.989 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.33 -32.23 71.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.085 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -45.55 77.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.446 -0.784 . . . . 0.0 109.89 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -29.64 66.48 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.44 -0.787 . . . . 0.0 109.995 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -87.22 -41.65 13.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.478 -0.764 . . . . 0.0 110.065 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.697 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -61.02 -30.57 70.38 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.03 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -83.97 -58.98 2.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.473 -0.767 . . . . 0.0 109.779 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -52.32 -34.03 45.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.493 -0.755 . . . . 0.0 109.305 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -82.15 -33.42 29.57 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -65.77 -50.82 63.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.382 -0.824 . . . . 0.0 109.77 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 8.2 ptt180 -67.99 -32.55 73.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.453 -0.78 . . . . 0.0 109.769 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -47.89 69.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.0 109.302 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.73 -23.1 53.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.561 -0.712 . . . . 0.0 109.179 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 42' ' ' ARG . . . -65.69 -31.71 72.87 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.486 -0.759 . . . . 0.0 109.989 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.84 -38.91 16.35 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.407 -0.808 . . . . 0.0 110.152 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.4 -26.52 68.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.443 -0.785 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -90.54 -29.27 17.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.379 -0.826 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 -35.96 69.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.294 -0.879 . . . . 0.0 110.174 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.52 -23.14 56.66 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.349 -0.844 . . . . 0.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.25 -26.53 33.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.401 -0.812 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.18 -28.0 9.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.239 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.439 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 -179.875 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.133 0.492 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -79.35 -34.39 42.13 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.202 -0.937 . . . . 0.0 109.392 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.63 -37.07 80.25 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.76 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.6 -29.99 66.53 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 tt -76.02 -39.37 55.85 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.792 . . . . 0.0 109.773 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -51.48 7.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.477 -0.764 . . . . 0.0 110.368 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.3 tpt -56.16 -43.9 78.78 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.209 -0.932 . . . . 0.0 110.496 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.1 m -67.05 -41.69 86.07 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.898 . . . . 0.0 110.476 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 tp -80.26 -18.09 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.168 -0.957 . . . . 0.0 110.042 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -43.76 72.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.37 -0.831 . . . . 0.0 109.66 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -27.39 48.04 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.429 -0.794 . . . . 0.0 109.804 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.405 -0.809 . . . . 0.0 110.09 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 121.169 0.509 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 t -63.45 -29.43 70.71 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.325 -0.859 . . . . 0.0 110.096 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.6 m -109.84 29.62 7.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.342 -0.849 . . . . 0.0 110.152 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.404 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . 2.2 mtt -106.66 137.36 44.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.459 -0.775 . . . . 0.0 110.136 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.8 p -70.47 168.4 16.27 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.378 -0.826 . . . . 0.0 110.208 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.27 -31.41 65.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.359 -0.838 . . . . 0.0 110.077 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.442 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 29.3 mt-10 -79.69 -35.68 38.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.467 -0.771 . . . . 0.0 109.961 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.99 -62.07 1.9 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.284 -0.885 . . . . 0.0 109.848 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' HG3' ' HB3' ' A' ' 87' ' ' MET . 45.2 mt-30 -59.15 -29.32 67.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.337 -0.852 . . . . 0.0 109.355 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -69.65 -36.53 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.588 -0.695 . . . . 0.0 109.283 179.399 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.08 72.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.384 -0.823 . . . . 0.0 109.575 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.22 -44.0 15.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.491 -0.756 . . . . 0.0 110.076 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.76 -28.07 62.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.4 -0.812 . . . . 0.0 110.387 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.3 tpt -83.25 -24.48 32.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.382 -0.824 . . . . 0.0 109.85 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -76.06 -33.86 59.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.408 -0.808 . . . . 0.0 110.078 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.1 mmm -85.12 -27.14 26.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.337 -0.852 . . . . 0.0 110.234 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -78.56 -23.6 46.04 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.863 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.258 -0.901 . . . . 0.0 110.096 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 N--CA 1.488 1.193 0 CA-C-O 121.799 0.666 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.2 t 63.36 35.51 12.22 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.524 0.678 . . . . 0.0 109.315 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' SER . . . 36.32 37.32 0.05 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.348 0.594 . . . . 0.0 111.035 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.57 121.52 0.62 Allowed Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.33 -30.71 12.45 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.071 1.563 . . . . 0.0 110.346 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.71 -40.95 96.22 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.332 -0.855 . . . . 0.0 109.903 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -31.26 68.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.417 -0.802 . . . . 0.0 109.859 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.33 85.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.37 -0.832 . . . . 0.0 109.836 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.33 -40.07 95.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.432 -0.792 . . . . 0.0 109.939 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.3 73.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.447 -0.783 . . . . 0.0 110.008 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -24.22 62.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.799 . . . . 0.0 110.098 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.81 -28.89 44.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.842 . . . . 0.0 109.062 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.19 -26.4 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.55 -0.719 . . . . 0.0 109.691 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.56 -46.38 26.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.436 -0.79 . . . . 0.0 110.036 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -43.45 92.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.445 -0.785 . . . . 0.0 110.013 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -63.85 -39.07 93.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.414 -0.804 . . . . 0.0 110.208 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.68 -46.2 79.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.798 . . . . 0.0 110.213 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -61.44 -36.29 79.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.421 -0.799 . . . . 0.0 110.117 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.3 -40.35 95.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.441 -0.787 . . . . 0.0 110.097 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.69 -31.0 72.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.339 -0.851 . . . . 0.0 110.174 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -85.05 -45.75 11.83 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.84 . . . . 0.0 110.272 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.695 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -62.76 -27.27 69.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.336 -0.852 . . . . 0.0 110.235 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -84.26 -58.6 2.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.425 -0.797 . . . . 0.0 109.823 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -50.78 -34.99 29.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.515 -0.74 . . . . 0.0 109.46 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.9 -34.62 26.6 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.641 -0.662 . . . . 0.0 109.251 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.49 -51.98 60.24 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 109.743 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 36.0 ptt85 -64.07 -29.94 71.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 0.0 109.766 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -57.03 -43.65 82.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.234 -0.916 . . . . 0.0 109.185 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.06 -23.76 62.2 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.899 -0.72 . . . . 0.0 109.48 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -68.85 -25.5 64.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.462 -0.774 . . . . 0.0 110.034 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.17 -33.62 16.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.382 -0.824 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.75 -26.74 60.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.316 -0.865 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -95.36 -27.04 15.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.357 -0.839 . . . . 0.0 110.404 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 45' ' ' ALA . . . -73.33 -31.85 64.23 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.412 -0.805 . . . . 0.0 110.283 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.16 10.49 37.55 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.462 -0.774 . . . . 0.0 110.647 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -117.4 -32.13 5.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.176 -0.953 . . . . 0.0 110.244 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.89 -26.99 9.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -0.865 . . . . 0.0 110.311 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.312 0.577 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -75.28 -28.18 59.67 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.223 -0.923 . . . . 0.0 109.163 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.63 99.33 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.58 -0.848 . . . . 0.0 108.734 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -30.17 71.13 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tt -76.35 -41.02 49.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.539 -0.725 . . . . 0.0 110.02 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -78.27 -53.0 7.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.467 -0.771 . . . . 0.0 110.3 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.4 tpt -52.23 -40.55 61.77 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.25 -0.906 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.8 m -66.68 -45.16 79.74 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.349 -0.844 . . . . 0.0 110.471 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 71' ' ' ILE . 5.8 tp -80.54 -16.2 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m -70.41 -43.34 70.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.354 -0.841 . . . . 0.0 109.626 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -79.76 -28.38 40.39 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 109.787 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.41 -0.806 . . . . 0.0 109.938 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.123 0.487 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -24.0 59.74 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.337 -0.852 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.6 p -95.97 27.73 3.46 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.237 -0.915 . . . . 0.0 110.311 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 154.75 43.13 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.441 -0.787 . . . . 0.0 110.121 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.6 p -82.19 168.49 17.63 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.342 -0.849 . . . . 0.0 110.233 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.12 -29.1 63.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.44 -0.787 . . . . 0.0 110.174 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.439 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 2.7 mt-10 -79.97 -37.59 34.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.352 -0.843 . . . . 0.0 109.852 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -61.9 2.01 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.352 -0.842 . . . . 0.0 109.782 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -59.17 -27.55 65.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -0.824 . . . . 0.0 109.493 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -68.31 -45.22 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.604 -0.685 . . . . 0.0 109.524 179.485 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -58.05 -34.38 70.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 109.601 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -83.17 -26.77 30.59 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.486 -0.759 . . . . 0.0 110.039 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.62 -35.03 40.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.359 -0.838 . . . . 0.0 110.107 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.1 mtm -78.66 -25.74 44.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.311 -0.868 . . . . 0.0 109.388 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -76.23 -31.74 58.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.565 -0.71 . . . . 0.0 109.819 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -38.51 59.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.475 -0.765 . . . . 0.0 109.982 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.8 m -64.39 -48.28 76.03 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.441 -0.787 . . . . 0.0 110.112 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.397 -0.815 . . . . 0.0 110.136 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.485 0.977 0 N-CA-C 110.483 -0.622 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -63.8 -16.47 61.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.892 . . . . 0.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.99 -29.32 60.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.227 -0.921 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.98 118.21 0.67 Allowed Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.472 -0.767 . . . . 0.0 110.255 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -74.51 -36.14 3.2 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 O-C-N 123.941 1.495 . . . . 0.0 110.398 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.09 -39.8 91.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.452 -0.78 . . . . 0.0 110.289 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -71.86 -32.12 67.17 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.026 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.04 67.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.357 -0.839 . . . . 0.0 110.072 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -71.72 -45.1 62.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.331 -0.855 . . . . 0.0 110.047 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.0 76.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.351 -0.843 . . . . 0.0 110.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' A' ' 26' ' ' LEU . 48.6 tp -75.16 -21.34 58.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.352 -0.843 . . . . 0.0 110.332 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -80.57 -30.6 36.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 0.0 109.188 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.0 t -77.77 -28.43 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.658 -0.651 . . . . 0.0 109.703 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 m -77.66 -36.88 50.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.482 -0.761 . . . . 0.0 109.995 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.3 mtm -68.87 -37.13 78.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.453 -0.779 . . . . 0.0 110.037 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.88 -40.82 79.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.41 -0.807 . . . . 0.0 110.1 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -60.75 -44.82 96.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.271 -0.893 . . . . 0.0 110.058 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -33.11 72.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.331 -0.856 . . . . 0.0 110.023 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -37.18 71.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.431 -0.793 . . . . 0.0 109.928 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.65 -41.48 90.63 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.494 -0.754 . . . . 0.0 110.082 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -46.16 65.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.41 -0.806 . . . . 0.0 109.994 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.672 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -65.12 -24.73 67.5 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.32 -0.862 . . . . 0.0 110.035 179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -83.82 -58.56 2.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.452 -0.78 . . . . 0.0 109.514 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.86 -33.35 35.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.515 -0.741 . . . . 0.0 109.323 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -83.24 -33.64 26.03 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.39 -54.24 35.99 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.481 -0.762 . . . . 0.0 109.581 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 20.7 ptt85 -65.88 -30.44 71.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.442 -0.786 . . . . 0.0 109.575 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -44.41 68.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.376 -0.828 . . . . 0.0 109.312 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.87 -24.58 59.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.546 -0.721 . . . . 0.0 109.373 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -67.58 -34.82 77.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.507 -0.745 . . . . 0.0 109.972 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.89 -38.93 16.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.414 -0.804 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.12 -37.11 83.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.405 -0.809 . . . . 0.0 110.084 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -32.91 37.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.429 -0.795 . . . . 0.0 110.063 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.15 -28.94 64.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.36 -0.838 . . . . 0.0 110.04 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.47 16.95 14.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.457 -0.777 . . . . 0.0 110.242 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.38 -43.87 0.77 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 0.0 109.912 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.44 -26.91 60.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 0.0 109.924 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.372 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 179.88 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.194 0.521 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.79 -31.5 57.03 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.16 -0.962 . . . . 0.0 109.242 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.24 78.33 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.531 -0.867 . . . . 0.0 108.86 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.437 ' O ' ' CG2' ' A' ' 70' ' ' THR . 7.8 tt -61.01 -28.58 69.15 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 tt -77.26 -33.99 55.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.635 -0.665 . . . . 0.0 109.616 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -82.94 -56.74 3.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.493 -0.754 . . . . 0.0 110.107 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.9 mtt -52.22 -37.96 56.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.274 -0.891 . . . . 0.0 110.734 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 66' ' ' LEU . 7.7 t -72.05 -39.13 69.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.2 -0.938 . . . . 0.0 110.277 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.429 ' N ' HG23 ' A' ' 70' ' ' THR . 4.0 tp -85.71 -8.01 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.266 -0.896 . . . . 0.0 110.34 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -85.28 -40.12 16.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 109.754 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -92.45 -20.3 21.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.438 -0.789 . . . . 0.0 110.19 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.873 . . . . 0.0 110.427 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 121.054 0.454 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -32.67 69.36 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.376 -0.828 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -119.24 44.95 2.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 110.212 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 mtt -110.76 140.08 45.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.398 -0.814 . . . . 0.0 110.142 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.7 p -73.34 171.02 13.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.462 -0.774 . . . . 0.0 110.31 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.87 -33.55 66.96 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.184 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 8.7 mt-10 -80.62 -33.74 35.6 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.348 -0.845 . . . . 0.0 110.164 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -55.95 -62.26 1.82 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.318 -0.864 . . . . 0.0 110.013 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.07 -25.02 66.65 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.46 -0.775 . . . . 0.0 109.595 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -71.66 -43.71 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.464 -0.772 . . . . 0.0 109.623 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.98 -30.07 70.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.351 -0.843 . . . . 0.0 109.657 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -85.92 -46.26 10.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.468 -0.77 . . . . 0.0 110.026 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.9 64.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 110.18 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.431 ' O ' HD12 ' A' ' 101' ' ' LEU . 17.1 ttm -83.22 -29.34 28.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 109.672 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.565 ' HA ' HD12 ' A' ' 101' ' ' LEU . 7.8 tt0 -68.84 -32.92 72.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.459 -0.776 . . . . 0.0 109.862 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.9 mmm -87.27 -21.6 25.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.481 -0.762 . . . . 0.0 110.205 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -81.85 -28.49 32.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.267 -0.896 . . . . 0.0 110.365 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 98' ' ' GLN . 13.9 mt . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.332 -0.855 . . . . 0.0 110.132 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 N--CA 1.484 0.969 0 N-CA-C 110.356 -0.671 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -21.92 65.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.363 -0.835 . . . . 0.0 109.945 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.48 49.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.311 -0.868 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -148.85 109.7 3.52 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -74.69 -40.13 1.14 Allowed 'Trans proline' 0 C--N 1.306 -1.676 0 O-C-N 124.084 1.57 . . . . 0.0 110.421 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.45 -41.78 69.85 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.34 -0.85 . . . . 0.0 110.201 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.91 -38.08 85.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.361 -0.837 . . . . 0.0 109.795 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.21 78.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.519 -0.738 . . . . 0.0 110.057 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -73.65 -34.2 64.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.304 -0.872 . . . . 0.0 109.976 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.82 97.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.382 -0.824 . . . . 0.0 110.083 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 26' ' ' LEU . 48.8 tp -76.15 -21.56 56.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.318 -0.864 . . . . 0.0 110.311 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -80.56 -29.32 37.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.877 . . . . 0.0 109.389 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 24' ' ' LEU . 85.0 t -78.63 -28.81 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.566 -0.708 . . . . 0.0 109.796 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 t -74.84 -45.61 42.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.444 -0.785 . . . . 0.0 110.033 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -64.09 -37.95 89.3 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.416 -0.803 . . . . 0.0 110.075 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.7 -34.32 75.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.427 -0.795 . . . . 0.0 110.088 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.71 -51.36 67.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.361 -0.837 . . . . 0.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -58.63 -33.16 69.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.313 -0.867 . . . . 0.0 110.149 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -40.02 67.23 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.393 -0.817 . . . . 0.0 110.031 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -35.76 69.76 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.406 -0.809 . . . . 0.0 110.091 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -43.07 63.57 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.425 -0.797 . . . . 0.0 109.908 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -72.71 -21.93 60.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.426 -0.796 . . . . 0.0 110.071 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.44 -58.34 3.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.47 -0.769 . . . . 0.0 109.538 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.56 -31.81 37.8 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.421 -0.799 . . . . 0.0 109.148 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -84.59 -34.64 23.12 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.39 -53.9 41.2 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.47 -0.769 . . . . 0.0 109.501 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 33.9 ptt85 -63.56 -30.95 71.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.388 -0.82 . . . . 0.0 109.571 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -44.56 71.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.42 -0.8 . . . . 0.0 109.273 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.96 -23.18 60.64 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.502 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -68.97 -34.0 74.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.495 -0.753 . . . . 0.0 110.052 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.73 -39.88 15.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.406 -0.809 . . . . 0.0 110.167 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.47 -28.03 68.01 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.318 -0.864 . . . . 0.0 110.143 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.23 -28.34 15.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.377 -0.827 . . . . 0.0 110.111 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.27 -25.87 66.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.372 -0.83 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.41 -26.45 65.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.342 -0.849 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.26 -33.01 72.6 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.405 -0.81 . . . . 0.0 110.13 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.36 -28.51 38.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.327 -0.858 . . . . 0.0 110.103 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.182 0.515 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.6 -32.15 53.43 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.215 -0.928 . . . . 0.0 109.331 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.12 81.15 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.5 -0.88 . . . . 0.0 108.823 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -30.95 67.79 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.542 HD23 ' C ' ' A' ' 67' ' ' LEU . 7.2 tt -74.52 -40.9 61.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.556 -0.715 . . . . 0.0 109.616 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' SER . 8.4 mmtt -81.07 -53.37 6.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.545 -0.722 . . . . 0.0 110.334 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 ttt -54.08 -41.13 67.87 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.206 -0.934 . . . . 0.0 110.636 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -68.1 -43.32 78.74 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.27 -0.894 . . . . 0.0 110.552 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.6 tp -83.44 -13.17 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 110.511 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 48.3 t -75.5 -46.18 33.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 0.0 109.887 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -79.41 -28.32 41.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.399 -0.813 . . . . 0.0 110.018 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.365 -0.834 . . . . 0.0 110.111 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.533 HD23 ' HE3' ' A' ' 87' ' ' MET . 33.9 mt . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.226 0.536 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -21.39 65.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.301 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -95.04 25.88 3.96 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 110.402 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.533 ' HE3' HD23 ' A' ' 84' ' ' LEU . 8.8 mtm -133.03 155.72 48.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.306 -0.871 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 76.2 p -57.56 155.24 9.95 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.349 -0.845 . . . . 0.0 110.067 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.64 -26.95 36.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.303 -0.873 . . . . 0.0 110.342 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -85.48 -34.62 21.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.424 -0.797 . . . . 0.0 110.116 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.03 -59.53 5.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.304 -0.873 . . . . 0.0 109.206 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -59.8 -21.65 61.14 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.482 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -75.06 -45.58 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.452 -0.78 . . . . 0.0 109.366 179.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -56.94 -35.22 68.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -0.834 . . . . 0.0 109.566 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -81.36 -37.21 28.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.562 -0.712 . . . . 0.0 110.064 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.41 -30.56 66.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.337 -0.852 . . . . 0.0 110.283 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -25.42 37.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.349 -0.844 . . . . 0.0 109.746 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -36.65 68.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.452 -0.78 . . . . 0.0 109.894 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 38.3 tpp -79.32 -26.23 42.21 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.448 -0.782 . . . . 0.0 110.194 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.7 p -73.95 -28.31 61.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.355 -0.84 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.346 -0.846 . . . . 0.0 110.201 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.486 1.031 0 N-CA-C 110.652 -0.557 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 t -60.06 -22.59 62.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.297 -0.877 . . . . 0.0 110.269 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.95 -23.74 66.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.313 -0.867 . . . . 0.0 110.346 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -169.54 123.64 0.68 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 0.0 110.008 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -75.71 -40.16 0.82 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 124.027 1.54 . . . . 0.0 110.414 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.29 -38.71 90.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -32.55 66.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.431 -0.793 . . . . 0.0 110.147 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -34.84 67.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.361 -0.837 . . . . 0.0 110.175 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -67.78 -44.24 77.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.39 -0.819 . . . . 0.0 109.974 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.2 72.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 110.045 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -70.9 -21.31 62.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.458 -0.776 . . . . 0.0 110.224 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -84.98 -33.54 22.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -0.874 . . . . 0.0 109.448 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 24' ' ' LEU . 59.0 t -72.9 -29.03 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.458 -0.776 . . . . 0.0 109.824 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -79.27 -46.17 18.32 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.442 -0.786 . . . . 0.0 110.123 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.7 tpp -64.5 -33.83 76.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 0.0 110.045 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -72.0 -36.63 69.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.31 -0.869 . . . . 0.0 110.086 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.57 -43.87 83.81 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.354 -0.841 . . . . 0.0 109.941 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -36.37 82.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.369 -0.832 . . . . 0.0 110.002 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -35.72 75.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.371 -0.83 . . . . 0.0 110.049 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.54 -39.36 90.79 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.337 -0.852 . . . . 0.0 110.001 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.9 mtt85 -71.8 -37.38 70.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.819 . . . . 0.0 109.926 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.532 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 4.4 tp-100 -74.91 -24.61 58.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.44 -0.788 . . . . 0.0 110.137 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -77.32 -53.96 7.05 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.82 . . . . 0.0 109.417 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.27 -32.4 56.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.373 -0.83 . . . . 0.0 108.813 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.36 -36.04 21.01 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.709 -0.619 . . . . 0.0 109.39 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -67.41 -56.86 7.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.349 -0.844 . . . . 0.0 109.783 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -59.52 -36.19 75.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.388 -0.82 . . . . 0.0 110.151 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -42.63 76.96 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.293 -0.879 . . . . 0.0 110.041 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.79 -28.24 63.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.384 -0.823 . . . . 0.0 109.906 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.49 64.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.382 -0.824 . . . . 0.0 110.096 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.51 -39.27 88.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.401 -0.812 . . . . 0.0 110.147 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -34.65 78.88 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.331 -0.856 . . . . 0.0 110.09 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -51.97 9.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.369 -0.832 . . . . 0.0 110.118 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.3 -24.19 66.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.412 -0.805 . . . . 0.0 110.207 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.67 20.54 8.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.887 . . . . 0.0 110.405 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -149.56 -59.88 0.21 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.872 . . . . 0.0 110.221 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.06 29.11 7.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.344 -0.848 . . . . 0.0 110.245 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.385 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.258 0.551 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -77.36 -32.07 54.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.184 -0.948 . . . . 0.0 109.27 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.74 82.72 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.419 -0.913 . . . . 0.0 108.641 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 70' ' ' THR . 0.5 OUTLIER -69.2 -30.67 68.9 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.586 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -75.99 -43.0 46.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.591 -0.693 . . . . 0.0 109.596 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -74.92 -52.7 10.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.464 -0.773 . . . . 0.0 110.021 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.6 ttt -51.47 -37.54 49.4 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.378 -0.826 . . . . 0.0 110.648 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 66' ' ' LEU . 7.0 p -68.34 -45.63 72.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.284 -0.885 . . . . 0.0 110.405 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.5 tp -82.8 -12.07 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.233 -0.917 . . . . 0.0 110.33 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.88 -45.68 34.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.923 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.95 -25.29 34.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.35 -0.844 . . . . 0.0 110.191 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 84' ' ' LEU . 4.2 mm? . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.283 0.563 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -13.7 62.41 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.365 -0.834 . . . . 0.0 110.492 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.11 29.33 2.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.2 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.442 ' SD ' HD13 ' A' ' 84' ' ' LEU . 39.4 mtt -113.02 131.39 55.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.373 -0.829 . . . . 0.0 110.11 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.446 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 69.3 p -65.26 -172.42 0.1 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.371 -0.831 . . . . 0.0 110.414 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 93' ' ' ILE . 4.1 mt-10 -63.9 -33.34 75.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.526 -0.734 . . . . 0.0 110.155 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 8.4 mm-40 -84.58 -31.69 24.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.459 -0.776 . . . . 0.0 110.224 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HB2' ' N ' ' A' ' 88' ' ' THR . 5.4 mt-10 -58.82 -61.9 2.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.225 -0.922 . . . . 0.0 109.602 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -59.32 -29.63 67.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.34 -0.85 . . . . 0.0 109.212 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.0 OUTLIER -70.94 -34.54 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.24 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 98' ' ' GLN . . . -62.4 -34.7 77.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.422 -0.799 . . . . 0.0 109.357 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.41 -44.01 30.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.556 -0.715 . . . . 0.0 109.958 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.13 81.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.498 -0.751 . . . . 0.0 110.255 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.7 mtp -77.19 -24.3 51.39 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.334 -0.854 . . . . 0.0 109.556 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 6.3 tt0 -67.15 -46.29 74.5 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.496 -0.752 . . . . 0.0 109.804 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 29.9 mtm -69.87 -32.53 70.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.396 -0.815 . . . . 0.0 109.987 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -26.72 53.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.337 -0.852 . . . . 0.0 110.126 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.873 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.825 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 37.2 Cg_endo . . . . . 0 N--CA 1.483 0.909 0 N-CA-C 110.43 -0.642 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER 70.38 48.23 0.49 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.231 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.86 27.93 0.53 Allowed 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.712 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.499 ' CB ' HD12 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -164.08 117.47 1.02 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.256 -0.902 . . . . 0.0 110.472 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.33 -37.21 2.65 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 O-C-N 124.077 1.567 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.4 -42.85 99.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.37 -0.831 . . . . 0.0 109.873 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD12 ' CB ' ' A' ' 19' ' ' ASP . 1.1 mt -62.61 -32.08 73.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.366 -0.834 . . . . 0.0 110.017 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.825 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . . . -63.74 -58.09 7.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.417 -0.802 . . . . 0.0 110.057 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 28' ' ' VAL . 6.1 tp -60.96 -30.21 70.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.343 -0.848 . . . . 0.0 110.115 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.53 88.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.362 -0.836 . . . . 0.0 109.957 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.66 -23.67 66.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.395 -0.816 . . . . 0.0 110.083 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -78.6 -30.06 46.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.361 -0.837 . . . . 0.0 109.084 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 24' ' ' LEU . 87.2 t -70.95 -31.13 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.457 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -37.01 62.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.411 -0.806 . . . . 0.0 109.819 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.3 mtt -61.96 -46.02 91.09 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.496 -0.753 . . . . 0.0 109.845 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -61.52 -43.93 97.97 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.915 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -32.21 70.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.392 -0.817 . . . . 0.0 109.909 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.17 -41.46 94.62 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.378 -0.826 . . . . 0.0 109.843 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -47.81 84.35 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.373 -0.83 . . . . 0.0 109.762 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -56.9 -29.61 63.16 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.398 -0.814 . . . . 0.0 109.749 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -42.58 34.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.543 -0.723 . . . . 0.0 109.768 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.663 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 1.8 tm0? -64.5 -29.58 70.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.372 -0.83 . . . . 0.0 109.896 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -83.52 -56.38 3.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.441 -0.787 . . . . 0.0 109.539 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.06 -31.96 44.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.425 -0.797 . . . . 0.0 109.246 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -85.31 -33.51 22.08 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -65.0 -51.78 59.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.436 -0.79 . . . . 0.0 109.648 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.585 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.3 ptt180 -65.63 -31.83 73.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 109.57 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -53.61 -47.84 69.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.831 . . . . 0.0 109.262 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.75 -25.05 65.43 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.127 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -67.89 -35.96 79.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.608 -0.682 . . . . 0.0 109.931 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.37 -41.35 14.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.432 -0.792 . . . . 0.0 110.045 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.27 69.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.345 -0.847 . . . . 0.0 110.066 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.9 t -84.41 -39.02 19.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.404 -0.81 . . . . 0.0 110.134 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.9 69.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.409 -0.807 . . . . 0.0 110.098 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.41 -8.45 56.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.392 -0.817 . . . . 0.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -104.84 -42.49 5.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.229 -0.919 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.18 27.86 7.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.831 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.223 0.535 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.7 -28.45 60.81 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.266 -0.896 . . . . 0.0 109.176 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.81 95.75 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.566 -0.854 . . . . 0.0 108.796 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -28.36 69.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 67' ' ' LEU . 5.9 tp -75.03 -47.72 27.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.413 -0.804 . . . . 0.0 109.874 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -79.45 -51.52 9.25 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.399 -0.813 . . . . 0.0 110.678 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.9 tpt -54.01 -37.84 64.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.147 -0.971 . . . . 0.0 110.776 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.2 m -72.73 -41.39 65.22 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.203 -0.935 . . . . 0.0 110.65 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 71' ' ' ILE . 5.3 tp -81.36 -18.8 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.127 -0.983 . . . . 0.0 110.056 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.2 m -73.82 -37.31 64.9 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.36 -0.837 . . . . 0.0 109.427 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.65 -25.69 38.13 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.487 -0.758 . . . . 0.0 109.948 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.418 -0.801 . . . . 0.0 110.238 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.2 mt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.182 0.515 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.3 t -60.11 -28.75 68.11 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.327 -0.858 . . . . 0.0 110.25 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.2 m -103.52 46.39 0.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.334 -0.853 . . . . 0.0 110.226 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 mtt -135.93 122.12 20.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.352 -0.843 . . . . 0.0 110.214 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.45 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 64.0 p -66.13 -173.17 0.17 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.393 -0.817 . . . . 0.0 110.268 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 93' ' ' ILE . 6.4 mt-10 -61.2 -33.52 73.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.479 -0.763 . . . . 0.0 110.204 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 37.9 mt-10 -82.57 -33.55 28.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.41 -0.807 . . . . 0.0 110.371 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.45 ' HB2' ' N ' ' A' ' 88' ' ' THR . 28.1 mm-40 -57.29 -62.12 2.0 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.24 -0.912 . . . . 0.0 109.844 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -59.34 -29.11 67.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.286 -0.884 . . . . 0.0 109.29 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.1 mt -71.8 -33.53 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.577 -0.702 . . . . 0.0 109.223 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.17 -28.6 69.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.378 -0.826 . . . . 0.0 109.439 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.58 -40.48 16.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.478 -0.764 . . . . 0.0 110.179 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.12 -27.77 48.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.36 -0.838 . . . . 0.0 110.349 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.2 ttm -83.09 -27.74 30.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.88 . . . . 0.0 109.732 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -75.54 -34.91 60.79 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.437 -0.789 . . . . 0.0 109.986 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.7 mmm -80.1 -28.43 39.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.426 -0.796 . . . . 0.0 110.004 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.8 t -76.18 -28.38 57.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.365 -0.834 . . . . 0.0 110.038 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' A' ' 101' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.343 -0.848 . . . . 0.0 110.114 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.485 0.988 0 N-CA-C 110.397 -0.655 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -21.42 66.73 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.318 -0.864 . . . . 0.0 110.289 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.25 -35.55 37.66 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.185 -0.947 . . . . 0.0 110.429 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.37 119.93 0.6 Allowed Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.358 -0.839 . . . . 0.0 110.075 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -75.22 -35.06 3.2 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 O-C-N 123.958 1.504 . . . . 0.0 110.394 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -32.96 74.75 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.359 -0.838 . . . . 0.0 110.159 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -27.75 43.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.503 -0.748 . . . . 0.0 110.203 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.66 -46.69 65.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.795 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -68.85 -40.01 79.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.294 -0.879 . . . . 0.0 110.125 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.59 71.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.305 -0.872 . . . . 0.0 110.177 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -21.63 66.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.286 -0.884 . . . . 0.0 110.165 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -32.81 39.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.355 -0.841 . . . . 0.0 109.078 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 24' ' ' LEU . 86.4 t -69.28 -31.54 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.522 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -40.44 61.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.454 -0.779 . . . . 0.0 109.883 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtp -61.7 -44.43 96.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.422 -0.799 . . . . 0.0 109.977 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.72 -38.91 89.65 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 0.0 109.939 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.56 -36.07 79.58 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.374 -0.829 . . . . 0.0 109.996 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -38.28 89.96 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.366 -0.834 . . . . 0.0 109.852 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -40.23 96.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.394 -0.816 . . . . 0.0 109.963 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.94 -40.12 92.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.43 -0.794 . . . . 0.0 110.048 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -44.61 66.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.451 -0.781 . . . . 0.0 109.903 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.604 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -66.97 -24.33 66.04 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.385 -0.822 . . . . 0.0 110.015 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -83.83 -54.42 4.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.42 -0.8 . . . . 0.0 109.57 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -52.88 -34.25 53.86 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.306 -0.871 . . . . 0.0 109.017 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.01 -34.66 24.26 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.752 -0.592 . . . . 0.0 109.412 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -68.61 -56.43 8.25 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.345 -0.847 . . . . 0.0 109.85 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -59.05 -35.99 74.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.424 -0.797 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -57.61 -49.78 75.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.264 -0.897 . . . . 0.0 109.966 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.15 -27.81 66.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.349 -0.844 . . . . 0.0 109.946 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.75 83.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.392 -0.817 . . . . 0.0 110.032 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.0 68.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 110.062 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.31 -33.9 61.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.417 -0.802 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -68.61 -33.25 73.72 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.329 -0.857 . . . . 0.0 110.095 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.74 -32.71 41.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.152 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.44 -10.94 47.46 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.426 -0.796 . . . . 0.0 110.477 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -111.49 -51.29 2.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.285 -0.884 . . . . 0.0 110.248 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.0 24.8 10.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 110.383 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 179.904 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.337 0.589 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -75.05 -29.0 60.61 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.242 -0.911 . . . . 0.0 109.152 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.47 -35.75 80.3 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.554 -0.858 . . . . 0.0 108.795 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -31.58 67.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 tt -75.55 -38.05 59.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.478 -0.764 . . . . 0.0 109.508 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -80.57 -53.16 6.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.526 -0.734 . . . . 0.0 110.287 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.4 mmt -55.24 -41.08 71.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.132 -0.98 . . . . 0.0 110.467 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.1 m -66.0 -45.72 80.56 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.288 -0.882 . . . . 0.0 110.37 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.3 tp -80.93 -15.14 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.198 -0.939 . . . . 0.0 110.178 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' LYS . 40.8 t -72.2 -35.3 68.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.377 -0.827 . . . . 0.0 109.704 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -88.4 -25.03 22.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.447 -0.783 . . . . 0.0 110.049 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 110.422 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 121.076 0.465 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -12.56 61.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.238 -0.913 . . . . 0.0 110.605 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.0 t -73.23 -22.94 60.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.131 -0.98 . . . . 0.0 110.534 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.416 ' HB2' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -109.21 -162.81 0.83 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.294 -0.879 . . . . 0.0 110.474 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.3 p -96.65 170.04 9.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.277 -0.889 . . . . 0.0 110.484 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.17 -36.9 76.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.405 -0.81 . . . . 0.0 109.999 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.478 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 6.0 mt-10 -71.13 -35.95 71.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 109.795 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 87' ' ' MET . 4.9 mm-40 -56.7 -57.51 12.1 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.298 -0.876 . . . . 0.0 109.676 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' HG3' ' CG ' ' A' ' 87' ' ' MET . 56.4 mt-30 -60.53 -32.92 71.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.337 -0.852 . . . . 0.0 109.055 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.478 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -65.19 -40.79 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.795 -0.566 . . . . 0.0 109.512 179.474 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.5 -23.36 67.25 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.27 -0.894 . . . . 0.0 109.733 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -86.34 -36.3 19.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.396 -0.815 . . . . 0.0 110.174 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.99 -31.79 27.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.344 -0.848 . . . . 0.0 110.377 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 27.7 mtt -81.13 -28.4 35.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.742 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -77.97 -43.13 30.6 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.899 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.6 tpp -66.48 -30.45 70.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.424 -0.797 . . . . 0.0 109.855 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 t -81.35 -20.32 40.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.417 -0.802 . . . . 0.0 110.284 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.277 -0.889 . . . . 0.0 110.241 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 N--CA 1.484 0.966 0 N-CA-C 110.695 -0.54 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -63.45 -16.84 61.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.273 -0.892 . . . . 0.0 110.303 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.24 75.82 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.165 -0.959 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.42 120.46 0.61 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.103 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -74.76 -34.98 3.69 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 O-C-N 123.974 1.513 . . . . 0.0 110.515 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.44 -38.82 88.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.293 -0.88 . . . . 0.0 110.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -73.24 -30.23 63.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.403 -0.811 . . . . 0.0 110.06 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.64 -55.06 26.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.35 -0.844 . . . . 0.0 109.984 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.868 ' O ' HG23 ' A' ' 28' ' ' VAL . 26.2 tp -63.96 -34.67 78.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.338 -0.851 . . . . 0.0 110.026 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.58 76.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.356 -0.84 . . . . 0.0 110.159 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.866 HD13 ' O ' ' A' ' 26' ' ' LEU . 2.0 tm? -62.81 -26.29 68.67 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 109.841 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -82.34 -25.23 34.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 0.0 109.786 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 24' ' ' LEU . 67.8 t -77.65 -39.48 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.427 -0.796 . . . . 0.0 109.784 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -70.51 -43.13 70.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.371 -0.831 . . . . 0.0 109.877 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.45 -37.55 86.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.388 -0.82 . . . . 0.0 109.976 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -38.47 91.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.447 -0.783 . . . . 0.0 109.966 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.06 -40.78 96.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 109.985 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -38.52 88.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.274 -0.891 . . . . 0.0 110.0 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -35.33 74.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.298 -0.876 . . . . 0.0 109.813 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -59.19 -37.17 76.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.373 -0.83 . . . . 0.0 109.986 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -72.86 -37.99 67.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.41 -0.807 . . . . 0.0 109.969 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.579 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 8.6 mt-30 -72.22 -19.42 61.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.398 -0.814 . . . . 0.0 110.179 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -83.68 -56.04 3.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.575 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -53.97 -31.89 52.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 109.09 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.49 -35.73 22.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.637 -0.664 . . . . 0.0 109.493 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -69.69 -55.34 10.23 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.329 -0.857 . . . . 0.0 109.932 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -59.66 -35.38 74.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.561 -0.712 . . . . 0.0 110.1 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -58.27 -48.01 81.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.373 -0.83 . . . . 0.0 110.145 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.12 -29.25 54.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.393 -0.817 . . . . 0.0 109.982 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.18 -31.08 70.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.346 -0.846 . . . . 0.0 110.093 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.64 -38.2 29.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.422 -0.799 . . . . 0.0 110.087 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.91 -29.3 68.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.205 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.41 -37.1 17.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 110.225 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.98 -24.86 67.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.37 -0.831 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.03 17.34 23.17 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.37 -30.77 12.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.298 -0.876 . . . . 0.0 110.008 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.89 18.16 1.97 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.382 -0.824 . . . . 0.0 110.274 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.243 0.544 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -76.18 -28.43 57.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.256 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.12 99.31 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.489 -0.885 . . . . 0.0 108.765 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 70' ' ' THR . 0.1 OUTLIER -66.62 -31.04 71.48 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.568 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.31 -42.25 59.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.67 -0.644 . . . . 0.0 109.833 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -52.96 8.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.439 -0.788 . . . . 0.0 110.154 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.3 ttt -49.71 -38.26 32.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.304 -0.873 . . . . 0.0 110.57 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 66' ' ' LEU . 18.0 p -70.67 -42.31 70.92 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.38 -0.825 . . . . 0.0 110.546 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -83.3 -12.92 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.244 -0.91 . . . . 0.0 110.404 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -77.21 -47.45 20.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.325 -0.859 . . . . 0.0 109.845 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -78.9 -24.02 44.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.454 -0.779 . . . . 0.0 110.056 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.334 -0.854 . . . . 0.0 110.276 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.154 0.502 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -27.06 67.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.358 -0.838 . . . . 0.0 110.224 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.3 t -97.76 34.99 1.76 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.38 -0.825 . . . . 0.0 110.273 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.8 mtt -124.12 136.46 54.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -0.839 . . . . 0.0 110.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.4 p -71.14 173.29 7.83 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.37 -0.832 . . . . 0.0 110.225 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -58.3 -34.41 70.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.406 -0.809 . . . . 0.0 110.249 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.443 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 35.5 mt-10 -80.81 -33.14 34.96 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.384 -0.823 . . . . 0.0 110.086 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.51 -62.09 1.97 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.243 -0.91 . . . . 0.0 109.908 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -60.2 -29.41 68.71 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.291 -0.88 . . . . 0.0 109.421 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -65.36 -46.83 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.578 -0.701 . . . . 0.0 109.436 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.43 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -56.76 -37.68 71.4 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.44 -0.787 . . . . 0.0 109.625 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -82.46 -27.74 31.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.484 -0.76 . . . . 0.0 109.851 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.38 -38.44 63.16 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.449 -0.782 . . . . 0.0 110.144 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.9 mtt -80.34 -22.29 41.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.8 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -44.61 37.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.436 -0.79 . . . . 0.0 110.037 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.9 mmm -70.07 -31.9 69.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.354 -0.841 . . . . 0.0 109.993 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 m -66.47 -49.75 65.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.45 -0.782 . . . . 0.0 110.215 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.406 -0.809 . . . . 0.0 110.486 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 22.2 m170 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.221 0.534 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 mmm -96.02 179.02 5.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.379 -0.826 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mt -111.9 25.01 12.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.378 -0.826 . . . . 0.0 109.574 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.18 62.59 2.84 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tp -151.52 33.27 0.56 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.366 -1.079 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.9 90.11 0.61 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.04 -47.85 7.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.377 -1.072 . . . . 0.0 110.235 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 p -110.6 -23.32 11.16 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.408 -0.808 . . . . 0.0 110.345 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -28.3 61.8 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.294 -0.879 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.639 ' CD1' HG11 ' A' ' 14' ' ' VAL . 29.3 m-85 -142.45 108.73 5.26 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.415 -0.803 . . . . 0.0 110.201 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -92.72 58.63 3.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.318 -0.864 . . . . 0.0 110.191 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 48.6 m-85 52.06 28.25 5.19 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.41 -0.806 . . . . 0.0 110.447 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.32 46.61 1.1 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 10' ' ' PHE . 34.9 m -139.67 -40.34 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.405 -1.056 . . . . 0.0 110.47 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' N ' HG23 ' A' ' 14' ' ' VAL . 21.3 p-10 -127.59 133.57 25.24 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.281 -0.887 . . . . 0.0 110.348 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.66 -24.95 21.24 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.503 1.264 . . . . 0.0 110.436 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.1 m -61.15 -22.4 64.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.891 . . . . 0.0 110.206 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.46 -16.68 61.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 110.343 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -157.17 116.08 1.99 Allowed Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.294 -0.879 . . . . 0.0 110.137 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.27 -45.02 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 O-C-N 123.928 1.489 . . . . 0.0 110.664 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -61.64 -51.11 69.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.299 -0.875 . . . . 0.0 110.204 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.17 -30.33 71.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.439 -0.788 . . . . 0.0 110.148 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.98 -54.19 45.14 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.364 -0.835 . . . . 0.0 110.106 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 mm? -63.33 -37.48 87.41 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.331 -0.856 . . . . 0.0 110.048 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.4 75.71 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.402 -0.811 . . . . 0.0 110.029 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -24.88 58.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.441 -0.787 . . . . 0.0 110.202 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.29 -31.23 23.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 0.0 109.463 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 24' ' ' LEU . 60.0 t -80.64 -28.29 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.619 -0.675 . . . . 0.0 109.817 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.7 m -77.75 -46.35 21.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.451 -0.781 . . . . 0.0 110.032 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -40.84 97.99 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.367 -0.833 . . . . 0.0 109.949 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -69.29 -32.35 71.45 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.406 -0.809 . . . . 0.0 110.043 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.88 -50.97 60.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.382 -0.824 . . . . 0.0 110.076 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -35.55 75.77 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.325 -0.859 . . . . 0.0 110.069 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -46.26 91.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.344 -0.848 . . . . 0.0 110.049 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -59.38 -35.05 73.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.352 -0.843 . . . . 0.0 109.982 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.35 -45.67 65.67 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.41 -0.806 . . . . 0.0 109.925 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.679 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.0 tt0 -71.58 -23.15 61.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.445 -0.785 . . . . 0.0 110.109 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -83.69 -57.35 3.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.393 -0.817 . . . . 0.0 109.738 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -52.61 -32.59 42.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.464 -0.773 . . . . 0.0 109.315 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -32.71 23.63 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -66.17 -52.19 50.59 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.857 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 15.4 ptt180 -66.31 -31.64 72.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.339 -0.851 . . . . 0.0 109.825 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 1.1 ttp180 -54.47 -49.24 70.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.319 -0.863 . . . . 0.0 109.195 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.05 -23.76 64.09 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.866 -0.734 . . . . 0.0 109.218 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -69.8 -34.26 73.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.535 -0.728 . . . . 0.0 109.991 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.08 -39.48 12.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.393 -0.817 . . . . 0.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -32.82 74.07 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.39 -0.819 . . . . 0.0 110.139 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 t -89.42 -31.85 17.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.347 -0.846 . . . . 0.0 110.15 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 45' ' ' ALA . . . -64.62 -39.56 93.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.355 -0.841 . . . . 0.0 110.108 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 54' ' ' ILE . . . -104.54 -25.65 12.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.318 -0.864 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 52.39 79.07 0.12 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.333 -0.854 . . . . 0.0 110.4 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 52.18 27.12 4.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.395 -0.816 . . . . 0.0 110.487 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.79 -51.23 1.55 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.47 HG22 ' CB ' ' A' ' 50' ' ' ALA . 7.4 tp -91.96 -22.57 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.376 -1.073 . . . . 0.0 110.413 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.98 103.42 14.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.258 -0.901 . . . . 0.0 110.257 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.6 p -61.58 147.86 44.19 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.319 -0.863 . . . . 0.0 110.135 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -134.89 37.72 3.04 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.342 -0.849 . . . . 0.0 110.209 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.28 61.43 0.33 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 59' ' ' THR . 9.1 t -90.36 55.63 3.11 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.382 -1.069 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -91.5 57.33 3.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.65 -28.83 61.98 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.345 -0.847 . . . . 0.0 110.135 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.439 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 44.2 m -117.56 72.38 0.84 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.345 -0.847 . . . . 0.0 110.231 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -59.82 -29.2 68.09 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.323 -0.861 . . . . 0.0 110.203 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -76.09 -31.02 58.51 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.236 -0.915 . . . . 0.0 109.095 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' HB2' ' HB3' ' A' ' 62' ' ' SER . . . -61.08 -44.05 97.95 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.759 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.59 -30.63 71.72 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -37.94 60.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.6 -0.688 . . . . 0.0 109.632 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -79.19 -57.39 3.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.413 -0.804 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -37.26 50.32 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.223 -0.923 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.0 m -68.4 -44.17 75.64 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.367 -0.833 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.1 tp -82.03 -15.38 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.234 -0.916 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.7 p -71.96 -41.97 67.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.37 -0.831 . . . . 0.0 109.676 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -29.21 33.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.469 -0.769 . . . . 0.0 109.918 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -79.5 -33.05 42.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.437 -0.789 . . . . 0.0 110.149 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -74.87 -48.49 24.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.339 -0.851 . . . . 0.0 110.19 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -69.06 -32.36 71.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.355 -0.841 . . . . 0.0 110.273 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.25 -30.81 66.8 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -92.74 -43.75 8.89 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.439 -1.036 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 79' ' ' THR . 52.3 m 52.07 26.52 3.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 109.97 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.423 ' O ' ' HG ' ' A' ' 81' ' ' LEU . . . 104.88 -93.85 0.97 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.921 -1.671 . . . . 0.0 108.921 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 80' ' ' GLY . 0.2 OUTLIER -175.53 111.76 0.26 Allowed Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.619 -0.93 . . . . 0.0 110.014 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.59 -27.74 12.58 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.706 1.371 . . . . 0.0 110.422 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.92 119.58 8.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.313 -0.867 . . . . 0.0 110.317 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 mp -87.46 -43.98 11.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.361 -0.837 . . . . 0.0 110.197 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.5 p -59.75 -25.53 64.93 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.376 -0.828 . . . . 0.0 110.417 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -96.18 41.15 1.11 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.303 -0.873 . . . . 0.0 110.286 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.404 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . 26.7 mtm -150.67 138.17 19.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.319 -0.863 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.7 p -62.1 175.41 0.71 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.15 -33.37 72.08 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.343 -0.848 . . . . 0.0 110.206 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 5.4 mp0 -81.51 -34.73 31.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.29 -0.881 . . . . 0.0 109.997 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.85 -58.9 5.92 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.344 -0.847 . . . . 0.0 109.866 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' HG3' ' HB3' ' A' ' 87' ' ' MET . 62.3 mt-30 -62.01 -30.96 71.31 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.376 -0.827 . . . . 0.0 109.301 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -66.69 -40.08 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.501 -0.749 . . . . 0.0 109.586 179.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.27 91.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.436 -0.79 . . . . 0.0 109.624 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -65.87 -39.59 90.85 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.451 -0.78 . . . . 0.0 109.978 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.11 78.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.467 -0.771 . . . . 0.0 110.255 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.43 -27.9 41.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.334 -0.854 . . . . 0.0 109.577 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -63.34 -34.75 78.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.452 -0.78 . . . . 0.0 109.74 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -28.43 30.2 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.494 -0.754 . . . . 0.0 110.024 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.496 ' HA ' ' HB2' ' A' ' 104' ' ' ALA . 70.7 m -95.06 11.08 33.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.57 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 tp -81.24 -29.66 34.38 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.223 -0.923 . . . . 0.0 110.105 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -112.4 71.17 0.73 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.367 -0.833 . . . . 0.0 110.199 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.22 105.37 2.61 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 100' ' ' SER . . . -166.98 103.7 0.55 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.301 -1.117 . . . . 0.0 110.17 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.15 -21.01 40.08 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.383 -0.823 . . . . 0.0 110.465 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -144.92 -60.18 0.36 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.324 -0.86 . . . . 0.0 110.187 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.94 165.7 15.71 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -102.14 58.4 0.82 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.313 -1.11 . . . . 0.0 110.243 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -132.75 97.84 4.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.362 -0.836 . . . . 0.0 110.218 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -105.96 23.39 14.06 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.419 -0.801 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -169.79 162.99 9.76 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.344 -0.847 . . . . 0.0 110.115 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.234 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.195 0.522 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.62 -175.49 3.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.35 -0.844 . . . . 0.0 110.196 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tp -113.43 28.38 8.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.434 -0.791 . . . . 0.0 109.461 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.92 -36.24 7.33 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -33.77 52.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.355 -1.085 . . . . 0.0 110.251 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.95 110.3 3.99 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.36 -48.52 4.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.342 -1.093 . . . . 0.0 110.133 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -78.75 -23.23 45.49 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.336 -0.852 . . . . 0.0 110.298 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -32.48 67.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.282 -0.886 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.561 ' HB3' HG21 ' A' ' 14' ' ' VAL . 39.1 m-85 -143.6 107.3 4.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.458 -0.776 . . . . 0.0 110.18 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -159.43 34.69 0.2 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.291 -0.881 . . . . 0.0 110.121 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.74 -43.68 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.416 -0.802 . . . . 0.0 110.202 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.37 51.88 0.68 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.561 HG21 ' HB3' ' A' ' 10' ' ' PHE . 84.0 t -125.21 -49.56 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.398 -1.06 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.547 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -148.2 -179.87 1.05 Allowed Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.406 -0.809 . . . . 0.0 110.082 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.697 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 37.0 Cg_endo -61.33 78.35 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.66 1.347 . . . . 0.0 110.635 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' ASP . 1.7 t 70.28 47.3 0.55 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 44.64 27.27 0.24 Allowed 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.798 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.44 119.06 0.58 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.26 -0.9 . . . . 0.0 110.265 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -73.49 -36.23 4.11 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 O-C-N 123.949 1.499 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -63.42 -49.52 73.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.389 -0.819 . . . . 0.0 110.172 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -29.26 66.53 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.263 -0.898 . . . . 0.0 110.058 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.697 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . . . -66.08 -44.5 84.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.372 -0.83 . . . . 0.0 110.065 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -73.39 -38.6 65.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.325 -0.859 . . . . 0.0 110.138 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.73 91.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.329 -0.857 . . . . 0.0 110.134 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.09 -21.43 62.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.267 -0.895 . . . . 0.0 110.214 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -79.19 -27.72 42.61 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -0.896 . . . . 0.0 109.165 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 24' ' ' LEU . 65.1 t -79.18 -27.81 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.6 -0.688 . . . . 0.0 109.679 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 t -76.25 -47.91 22.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.407 -0.808 . . . . 0.0 110.021 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.6 tpt -61.99 -40.57 96.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 110.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -63.22 -37.72 88.34 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.428 -0.795 . . . . 0.0 110.053 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.87 -37.14 85.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.323 -0.861 . . . . 0.0 110.052 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.86 -41.47 74.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.805 . . . . 0.0 110.085 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -47.0 88.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.388 -0.82 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -60.06 -40.63 90.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.396 -0.815 . . . . 0.0 110.142 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -70.48 -43.95 68.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.412 -0.805 . . . . 0.0 109.989 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 15.1 mm100 -73.95 -18.14 60.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.385 -0.822 . . . . 0.0 110.19 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.4 -59.23 2.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.43 -0.794 . . . . 0.0 109.698 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -53.17 -31.27 41.8 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.438 -0.789 . . . . 0.0 109.337 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -84.26 -35.2 23.55 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.58 -0.7 . . . . 0.0 109.695 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -73.37 -55.0 6.96 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.214 -0.929 . . . . 0.0 110.008 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -58.35 -47.2 84.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.443 -0.786 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -46.37 70.63 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.287 -0.883 . . . . 0.0 110.08 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.53 -24.7 63.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.464 -0.772 . . . . 0.0 109.854 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.2 -34.08 49.65 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 110.07 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.84 -39.25 64.14 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.366 -0.834 . . . . 0.0 110.155 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.51 -41.62 75.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -71.62 -17.97 62.24 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.28 -0.887 . . . . 0.0 110.433 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.53 -31.23 29.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.251 -0.905 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.81 -18.89 14.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.337 -0.852 . . . . 0.0 110.504 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -99.8 -57.36 2.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.201 -0.937 . . . . 0.0 110.176 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.04 4.99 45.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.383 -0.823 . . . . 0.0 110.594 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.16 13.73 44.37 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.406 ' H ' HG22 ' A' ' 54' ' ' ILE . 14.2 tt -100.95 -5.52 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.284 -1.127 . . . . 0.0 110.58 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.83 62.1 6.25 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.162 -0.961 . . . . 0.0 110.326 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.5 t -167.15 44.58 0.05 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.369 -0.832 . . . . 0.0 110.307 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 p -114.98 121.73 44.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.437 -0.789 . . . . 0.0 110.221 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.36 -150.59 6.84 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 59' ' ' THR . 8.7 t -148.92 114.75 5.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.35 -1.088 . . . . 0.0 110.14 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.0 mt-10 -130.25 47.13 2.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.397 -0.814 . . . . 0.0 110.53 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -56.45 97.22 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.118 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.428 ' HB3' ' CB ' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -50.74 79.54 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.606 0.717 . . . . 0.0 110.576 -177.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' A' ' 61' ' ' ASP . 1.4 t70 -72.99 -48.97 31.79 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.833 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -72.21 -29.56 64.07 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.078 -1.013 . . . . 0.0 109.223 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 62' ' ' SER . . . -60.15 -47.62 85.15 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 119.505 -0.878 . . . . 0.0 108.902 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.77 -29.7 69.57 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tt -77.6 -34.93 53.33 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.506 -0.746 . . . . 0.0 109.766 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.6 -56.86 3.61 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -0.782 . . . . 0.0 110.733 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -41.05 69.89 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.138 -0.976 . . . . 0.0 110.725 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.6 m -68.64 -41.09 79.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.197 -0.94 . . . . 0.0 110.686 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' A' ' 71' ' ' ILE . 5.9 tp -82.1 -18.37 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.133 -0.98 . . . . 0.0 110.061 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.0 m -71.95 -37.5 69.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.302 -0.874 . . . . 0.0 109.883 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.94 -28.32 27.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.43 -0.794 . . . . 0.0 110.206 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -84.62 -40.57 17.32 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.288 -0.882 . . . . 0.0 110.381 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.35 -35.59 71.21 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.222 -0.924 . . . . 0.0 110.124 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.16 113.42 5.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.27 -0.894 . . . . 0.0 110.141 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.09 -47.69 0.74 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.95 -51.07 2.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -1.097 . . . . 0.0 110.417 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 79' ' ' THR . 24.4 m 52.11 68.03 0.88 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.312 -0.868 . . . . 0.0 109.866 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.426 ' O ' ' HG ' ' A' ' 81' ' ' LEU . . . 67.06 -83.31 0.12 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.994 -1.643 . . . . 0.0 108.994 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 80' ' ' GLY . 0.2 OUTLIER -180.0 112.33 0.2 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.655 -0.909 . . . . 0.0 109.975 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.35 -44.24 0.85 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 O-C-N 123.641 1.337 . . . . 0.0 110.43 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 t70 52.45 74.77 0.26 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.332 -0.855 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.3 mt -68.1 -26.49 65.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.323 -0.861 . . . . 0.0 110.374 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.7 t -56.21 -26.62 51.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.264 -0.897 . . . . 0.0 110.382 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.5 t -94.06 43.94 1.11 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.859 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.442 ' CG ' ' HB3' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -147.28 126.0 12.61 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.87 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.424 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 71.5 p -60.45 -177.93 0.08 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.365 -0.834 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.41 -33.28 73.43 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.408 -0.808 . . . . 0.0 110.263 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 8.1 mt-10 -82.82 -33.41 27.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.399 -0.813 . . . . 0.0 110.022 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.442 ' HB3' ' CG ' ' A' ' 87' ' ' MET . 44.4 mm-40 -56.8 -62.02 2.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.257 -0.902 . . . . 0.0 109.807 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -57.44 -31.48 65.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.337 -0.852 . . . . 0.0 109.12 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.449 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.9 OUTLIER -67.25 -38.17 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.09 -34.66 72.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.402 -0.811 . . . . 0.0 109.481 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.9 -46.73 17.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.506 -0.746 . . . . 0.0 109.863 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.65 92.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.465 -0.772 . . . . 0.0 110.224 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.2 mmt -76.53 -23.98 53.67 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.298 -0.876 . . . . 0.0 109.658 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -47.88 81.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 109.923 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.1 mmm -73.21 -29.89 63.13 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.454 -0.779 . . . . 0.0 110.029 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -12.3 61.14 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.485 -0.76 . . . . 0.0 110.435 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.67 33.0 1.51 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.2 -0.938 . . . . 0.0 110.292 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -167.13 35.2 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.274 -0.891 . . . . 0.0 110.08 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.72 95.58 0.16 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -168.08 111.21 0.61 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.298 -1.119 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 52.19 63.16 2.35 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.267 -0.896 . . . . 0.0 110.431 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.43 -71.43 0.74 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.373 -0.829 . . . . 0.0 110.091 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.55 66.88 2.2 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -104.47 56.89 0.71 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.354 -1.086 . . . . 0.0 110.115 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.67 -27.74 19.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.462 -0.774 . . . . 0.0 110.271 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.65 49.15 20.98 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.36 -0.837 . . . . 0.0 110.441 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 p -147.49 31.45 0.89 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.399 -0.813 . . . . 0.0 110.191 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.14 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.148 0.499 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.84 -167.15 2.7 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.363 -0.836 . . . . 0.0 110.161 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 tp -113.11 24.33 12.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.443 -0.785 . . . . 0.0 109.657 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.21 -128.07 0.35 Allowed Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 5' ' ' LEU . 4.1 mm? -102.56 -59.65 1.67 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.372 -1.075 . . . . 0.0 110.116 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.47 -102.64 2.38 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.71 114.37 1.81 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.26 -1.141 . . . . 0.0 110.248 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.98 24.09 3.23 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.476 -0.765 . . . . 0.0 110.567 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -94.98 -20.3 19.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.372 -0.83 . . . . 0.0 110.082 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -133.73 96.37 3.66 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.874 . . . . 0.0 110.098 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 4.7 pt-20 -143.22 103.0 4.08 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.311 -0.868 . . . . 0.0 110.271 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 54.47 22.28 3.78 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.357 -0.84 . . . . 0.0 110.628 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.37 7.45 5.01 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.3 p -124.41 -25.62 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.153 -1.204 . . . . 0.0 110.349 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.69 167.52 0.17 Allowed Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.457 -0.777 . . . . 0.0 110.692 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.97 -14.55 35.57 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.806 1.424 . . . . 0.0 110.527 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -21.75 66.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.309 -0.87 . . . . 0.0 110.222 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.5 67.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.238 -0.914 . . . . 0.0 110.338 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.72 119.83 0.65 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 0.0 110.239 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -75.55 -38.62 1.3 Allowed 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.982 1.517 . . . . 0.0 110.373 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.32 -48.06 83.05 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.29 -0.881 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.39 -30.64 71.35 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.321 -0.862 . . . . 0.0 110.153 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.49 -39.81 95.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.409 -0.807 . . . . 0.0 110.237 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 28' ' ' VAL . 7.7 mt -72.05 -41.53 67.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.326 -0.859 . . . . 0.0 110.251 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.25 92.69 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.284 -0.885 . . . . 0.0 109.963 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -72.97 -21.52 60.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.49 -0.756 . . . . 0.0 110.144 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -83.74 -26.68 29.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.335 -0.853 . . . . 0.0 109.805 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 24' ' ' LEU . 57.9 t -77.73 -35.19 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.468 -0.77 . . . . 0.0 109.899 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -77.44 -35.54 53.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.39 -0.819 . . . . 0.0 110.021 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.2 ttt -68.76 -38.51 80.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.428 -0.795 . . . . 0.0 109.949 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.74 -36.83 76.16 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.397 -0.814 . . . . 0.0 109.989 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.94 -50.99 60.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.059 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -35.38 70.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.368 -0.832 . . . . 0.0 110.037 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -46.92 80.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.415 -0.803 . . . . 0.0 110.064 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.92 -51.12 62.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.342 -0.849 . . . . 0.0 110.274 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -50.01 34.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.44 -0.788 . . . . 0.0 110.027 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 8.2 tp-100 -58.35 -23.65 57.46 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.331 -0.855 . . . . 0.0 110.068 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 42.6 tt0 -73.28 -64.06 1.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.409 -0.807 . . . . 0.0 109.058 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.45 -29.76 11.06 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.409 -0.807 . . . . 0.0 109.117 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -26.76 26.22 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.662 -0.649 . . . . 0.0 109.65 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -85.72 -20.44 29.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.259 -0.901 . . . . 0.0 109.277 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' A' ' 38' ' ' GLU . 5.6 mpt_? -82.35 -38.11 24.68 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.666 -0.646 . . . . 0.0 109.583 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 43' ' ' ARG . 4.3 tpp180 -75.07 -35.21 61.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.5 -0.75 . . . . 0.0 109.683 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.98 74.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.433 -0.792 . . . . 0.0 109.947 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.44 -35.14 54.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.425 -0.797 . . . . 0.0 110.065 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -51.08 64.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.49 -0.756 . . . . 0.0 110.176 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.92 -28.62 69.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.36 -0.838 . . . . 0.0 110.18 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.7 t -75.18 -42.36 55.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.386 -0.821 . . . . 0.0 110.206 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.13 70.24 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.399 -0.813 . . . . 0.0 110.247 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.66 -11.53 59.87 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.402 -0.811 . . . . 0.0 110.556 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -92.09 -58.13 2.49 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.266 -0.896 . . . . 0.0 110.184 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.45 -12.27 22.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.36 -0.837 . . . . 0.0 110.529 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.71 28.57 14.34 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.413 ' H ' HG22 ' A' ' 54' ' ' ILE . 16.0 tt -97.86 -23.41 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.352 -1.087 . . . . 0.0 110.251 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.19 125.84 31.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.325 -0.86 . . . . 0.0 110.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 p -112.34 82.79 1.69 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.842 . . . . 0.0 110.173 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 p -143.41 -172.41 3.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.392 -0.817 . . . . 0.0 110.127 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -152.57 76.98 0.22 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.0 m -112.0 73.17 0.8 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.45 -1.03 . . . . 0.0 110.196 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.48 46.38 1.05 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -0.834 . . . . 0.0 110.089 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -76.19 -62.28 1.66 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.367 -0.833 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.644 ' HB3' ' HB3' ' A' ' 65' ' ' ALA . 2.4 m -95.44 77.94 3.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.337 -0.852 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -67.48 -65.11 0.73 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.382 -0.824 . . . . 0.0 110.119 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.41 -29.12 56.93 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.197 -0.939 . . . . 0.0 109.305 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 62' ' ' SER . . . -61.74 -37.64 84.99 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.559 -0.856 . . . . 0.0 108.742 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.66 -30.74 67.43 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.614 ' O ' HD23 ' A' ' 67' ' ' LEU . 3.4 tt -76.12 -38.26 57.08 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.588 -0.695 . . . . 0.0 109.737 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.6 mptt -83.45 -55.05 4.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.435 -0.791 . . . . 0.0 110.501 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -42.8 67.1 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.232 -0.917 . . . . 0.0 110.633 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.0 m -67.95 -42.21 81.29 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.367 -0.833 . . . . 0.0 110.563 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 tp -84.15 -8.4 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.243 -0.91 . . . . 0.0 110.493 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . 48.3 t -80.47 -49.17 11.77 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.884 . . . . 0.0 109.909 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -81.64 -21.64 38.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.388 -0.82 . . . . 0.0 110.15 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -85.15 -43.46 13.82 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 0.0 110.371 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.01 -43.67 70.91 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.385 -0.822 . . . . 0.0 110.225 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.54 62.94 1.05 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.39 -0.819 . . . . 0.0 110.264 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.42 -66.84 0.05 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -91.57 127.66 37.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.342 -1.093 . . . . 0.0 110.246 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -126.18 38.18 4.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.199 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.24 30.66 9.89 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -167.41 122.98 0.86 Allowed Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.332 -1.099 . . . . 0.0 110.197 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.4 125.62 10.32 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.494 1.26 . . . . 0.0 110.544 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -83.52 75.0 10.05 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.367 -0.833 . . . . 0.0 110.295 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.02 -28.67 69.74 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.312 -0.867 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.5 p -66.92 -29.41 69.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.341 -0.849 . . . . 0.0 110.345 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 t -100.36 35.69 2.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.375 -0.828 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 13.0 mtt -120.35 130.61 54.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.318 -0.864 . . . . 0.0 110.185 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.8 p -72.22 174.99 6.46 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.36 -0.837 . . . . 0.0 110.099 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.94 -27.61 63.55 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.453 -0.78 . . . . 0.0 110.182 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.432 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 2.3 mp0 -84.55 -36.12 22.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.279 -0.888 . . . . 0.0 110.027 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -62.34 1.74 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.29 -0.881 . . . . 0.0 109.852 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -59.18 -29.66 67.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 109.348 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -65.42 -47.01 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.572 -0.705 . . . . 0.0 109.368 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.437 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -58.5 -24.61 60.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.317 -0.865 . . . . 0.0 109.64 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.7 -45.15 19.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.456 -0.777 . . . . 0.0 110.045 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.7 -29.59 59.02 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.489 -0.757 . . . . 0.0 110.375 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.583 ' O ' HD12 ' A' ' 101' ' ' LEU . 3.6 ttm -79.57 -24.04 42.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.261 -0.899 . . . . 0.0 109.702 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -80.01 -28.8 39.38 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.499 -0.751 . . . . 0.0 110.067 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.6 mtt -85.27 -21.39 29.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.385 -0.822 . . . . 0.0 110.435 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.6 p -90.46 -27.84 18.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -0.904 . . . . 0.0 110.467 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 97' ' ' MET . 0.2 OUTLIER -82.87 -23.58 33.58 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.287 -0.883 . . . . 0.0 110.461 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -72.82 -21.28 60.99 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.286 -0.884 . . . . 0.0 110.396 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.03 129.99 4.75 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.84 85.04 2.33 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.356 -1.084 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.73 54.61 0.84 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.371 -0.831 . . . . 0.0 110.105 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -96.8 -69.58 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.373 -0.829 . . . . 0.0 109.982 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -110.54 22.81 21.51 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -116.97 60.43 0.75 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -1.123 . . . . 0.0 110.182 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -166.91 -51.33 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.227 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.39 58.62 4.19 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.328 -0.858 . . . . 0.0 110.184 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.1 p -106.62 149.48 27.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.915 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.209 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.7 t60 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.183 0.516 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.544 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -157.36 -47.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.382 -0.824 . . . . 0.0 110.209 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.544 ' CB ' ' O ' ' A' ' 2' ' ' MET . 8.9 tp 79.39 33.23 0.22 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.28 66.44 0.95 Allowed Glycine 0 N--CA 1.481 1.638 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tt -104.8 81.37 1.75 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.327 -1.102 . . . . 0.0 110.208 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.12 25.62 0.7 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -133.38 6.18 3.81 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.327 -1.102 . . . . 0.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.31 1.05 4.61 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.152 -0.968 . . . . 0.0 110.639 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -68.11 -37.22 80.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 110.06 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -171.45 44.78 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.445 -0.784 . . . . 0.0 110.363 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.87 67.17 0.39 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.425 -0.797 . . . . 0.0 110.259 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -166.26 -61.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.372 -0.83 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.0 47.44 1.05 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -122.38 -31.78 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.413 -1.051 . . . . 0.0 110.418 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -166.52 136.32 2.53 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.914 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.88 -13.7 34.71 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.563 1.296 . . . . 0.0 110.727 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -63.13 -17.18 62.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.296 -0.877 . . . . 0.0 110.295 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.04 -11.01 60.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.259 -0.9 . . . . 0.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -153.16 113.44 2.68 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.179 -0.951 . . . . 0.0 110.124 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -73.86 -38.07 2.52 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 O-C-N 124.004 1.528 . . . . 0.0 110.378 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.93 -46.27 75.31 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.391 -0.818 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 22' ' ' LEU . 10.1 mp -69.08 -29.39 67.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.402 -0.811 . . . . 0.0 109.978 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.88 97.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.469 -0.769 . . . . 0.0 110.083 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -68.48 -39.84 81.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.42 -0.8 . . . . 0.0 109.999 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -34.98 79.73 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.397 -0.814 . . . . 0.0 109.957 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -71.23 -24.12 62.13 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.334 -0.854 . . . . 0.0 110.2 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -85.22 -30.66 23.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.0 109.492 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 24' ' ' LEU . 94.8 t -75.92 -33.86 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.571 -0.706 . . . . 0.0 109.752 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -41.04 56.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.427 -0.796 . . . . 0.0 109.902 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.6 ttt -65.41 -35.26 80.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 0.0 109.794 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -33.95 62.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.813 . . . . 0.0 110.057 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -49.1 76.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.349 -0.844 . . . . 0.0 109.923 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.82 -35.75 80.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.426 -0.796 . . . . 0.0 109.86 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -67.74 -40.26 84.17 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.479 -0.763 . . . . 0.0 110.055 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.04 -40.37 93.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.404 -0.81 . . . . 0.0 110.059 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -71.19 -39.75 71.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.498 -0.751 . . . . 0.0 109.982 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.66 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -73.35 -26.06 60.86 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.342 -0.849 . . . . 0.0 109.992 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -83.87 -58.08 2.94 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.429 -0.794 . . . . 0.0 109.416 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -32.71 29.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.56 -0.712 . . . . 0.0 109.266 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -84.64 -33.88 23.18 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.21 -52.61 58.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.422 -0.799 . . . . 0.0 109.59 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 28.2 ptt180 -65.38 -30.82 71.69 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.391 -0.818 . . . . 0.0 109.497 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -44.38 69.28 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.429 -0.794 . . . . 0.0 109.234 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.83 -23.78 58.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.579 -0.701 . . . . 0.0 109.368 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.547 ' O ' ' HB2' ' A' ' 49' ' ' ALA . . . -70.1 -33.99 72.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.456 -0.777 . . . . 0.0 110.016 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.48 -44.2 16.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.307 -0.871 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.71 78.7 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.424 -0.797 . . . . 0.0 110.091 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -84.4 -29.43 26.19 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.274 -0.891 . . . . 0.0 110.129 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 45' ' ' ALA . . . -61.37 -34.75 75.84 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -0.832 . . . . 0.0 110.222 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.43 -24.73 39.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.361 -0.837 . . . . 0.0 110.238 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -97.01 -67.94 0.82 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.401 -0.812 . . . . 0.0 110.315 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.4 29.86 3.44 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.405 -0.809 . . . . 0.0 110.333 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.78 -17.62 4.6 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.45 -21.89 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.051 -1.264 . . . . 0.0 110.706 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.33 179.66 7.62 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.197 -0.939 . . . . 0.0 110.424 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.5 t -136.15 144.77 45.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.475 -0.765 . . . . 0.0 110.177 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.8 p -130.2 6.19 4.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.409 -0.807 . . . . 0.0 110.572 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.15 97.92 0.13 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.1 m -72.56 79.21 1.06 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.324 -1.104 . . . . 0.0 110.151 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.66 78.49 0.7 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.375 -0.828 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.21 -54.92 22.23 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.321 -0.862 . . . . 0.0 110.15 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.491 ' OG ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -127.24 69.25 1.29 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.191 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -66.85 -36.16 81.7 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.346 -0.846 . . . . 0.0 110.48 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -76.17 -28.95 57.54 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 0.0 109.323 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB2' ' OG ' ' A' ' 62' ' ' SER . . . -61.91 -43.82 98.06 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.537 -0.865 . . . . 0.0 108.953 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -30.01 70.5 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.75 -0.834 . . . . 0.0 108.75 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.473 HD23 ' HD3' ' A' ' 68' ' ' LYS . 8.0 tt -73.37 -44.63 58.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.528 -0.733 . . . . 0.0 109.78 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.473 ' HD3' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -79.96 -56.59 4.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.47 -0.769 . . . . 0.0 110.235 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.7 ttt -48.54 -39.72 24.47 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.342 -0.849 . . . . 0.0 110.778 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.2 m -70.6 -40.58 73.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.378 -0.826 . . . . 0.0 110.463 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.2 tp -81.5 -16.46 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.052 -1.03 . . . . 0.0 110.053 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -73.88 -39.05 64.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.286 -0.884 . . . . 0.0 109.553 179.401 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -82.13 -23.13 35.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.55 -0.718 . . . . 0.0 110.112 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -89.93 -31.59 17.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.307 -0.871 . . . . 0.0 110.174 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -78.29 -32.56 49.47 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -0.879 . . . . 0.0 110.328 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.52 116.53 3.42 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.331 -0.855 . . . . 0.0 110.41 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.8 -52.61 44.05 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.45 106.77 17.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -1.075 . . . . 0.0 110.047 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -122.59 40.53 3.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.414 -0.804 . . . . 0.0 110.265 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' LEU . . . -105.98 32.16 7.66 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.636 HD12 ' C ' ' A' ' 80' ' ' GLY . 4.9 mp -144.71 101.36 4.62 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.29 -1.123 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -73.32 -9.22 22.91 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 O-C-N 123.702 1.369 . . . . 0.0 110.673 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 53.31 90.22 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.179 -0.951 . . . . 0.0 110.457 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.86 -23.7 66.44 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.344 -0.848 . . . . 0.0 110.251 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.3 p -60.72 -26.37 67.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.364 -0.835 . . . . 0.0 110.261 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 m -106.15 37.43 2.28 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.324 -0.86 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 18.6 mtt -112.61 137.24 51.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.421 -0.799 . . . . 0.0 110.135 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.6 p -75.89 171.57 14.18 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.444 -0.785 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.21 -29.84 64.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.395 -0.816 . . . . 0.0 110.282 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 19.4 mt-10 -83.53 -34.83 25.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.341 -0.849 . . . . 0.0 109.884 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.86 -62.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.382 -0.824 . . . . 0.0 109.859 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.54 -29.85 69.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.415 -0.803 . . . . 0.0 109.516 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.44 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -66.85 -40.74 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.596 -0.69 . . . . 0.0 109.463 179.47 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.15 -29.67 70.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.435 -0.791 . . . . 0.0 109.632 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -84.73 -40.87 16.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.448 -0.782 . . . . 0.0 109.95 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.32 -29.03 61.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.356 -0.84 . . . . 0.0 110.136 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.6 tpt -82.61 -26.49 32.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.326 -0.859 . . . . 0.0 109.778 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.15 -41.39 67.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.379 -0.826 . . . . 0.0 110.005 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.4 tpp -75.19 -27.59 59.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.365 -0.834 . . . . 0.0 110.169 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.9 t -71.57 -27.39 63.12 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.4 -0.812 . . . . 0.0 110.284 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.7 tp -93.9 46.21 1.17 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.324 -0.86 . . . . 0.0 110.197 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -165.36 -70.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.333 -0.855 . . . . 0.0 110.101 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.07 104.99 0.28 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.19 116.86 4.07 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.413 -1.051 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.14 -136.04 0.25 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.324 -0.86 . . . . 0.0 109.846 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.84 86.26 2.53 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.99 -1.069 . . . . 0.0 110.245 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -103.35 35.19 5.19 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -86.23 60.05 6.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.402 -1.058 . . . . 0.0 110.199 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -154.35 112.49 3.53 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.177 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.14 -53.51 0.91 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.328 -0.857 . . . . 0.0 110.138 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 t -128.87 139.54 52.1 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 110.143 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.186 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.212 0.53 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.548 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -168.3 -41.0 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.29 -0.881 . . . . 0.0 110.203 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.548 ' CB ' ' O ' ' A' ' 2' ' ' MET . 1.3 tp 79.59 36.24 0.15 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.07 80.39 0.48 Allowed Glycine 0 N--CA 1.481 1.674 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt -95.29 25.81 4.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.328 -1.101 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.14 -40.17 0.38 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -32.01 72.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.322 -1.105 . . . . 0.0 110.327 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -99.08 31.75 2.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.297 -0.877 . . . . 0.0 110.213 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -92.5 -2.93 55.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.36 -0.837 . . . . 0.0 110.574 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -90.33 3.37 53.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.15 -0.969 . . . . 0.0 110.62 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 2.3 tt0 -57.26 115.27 2.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.212 -0.93 . . . . 0.0 110.191 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 44.4 p90 35.51 35.17 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.225 0.536 . . . . 0.0 111.505 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.35 -9.49 19.58 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -126.38 -34.01 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.137 -1.214 . . . . 0.0 110.46 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -148.22 148.05 28.0 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.243 -0.911 . . . . 0.0 110.241 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.71 -17.54 33.2 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.774 1.407 . . . . 0.0 110.657 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -16.6 58.91 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.242 -0.911 . . . . 0.0 110.387 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.64 -29.33 64.48 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.245 -0.91 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.17 118.66 0.74 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.0 110.032 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.85 -29.22 12.63 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 123.973 1.512 . . . . 0.0 110.415 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -43.23 93.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.329 -0.857 . . . . 0.0 109.887 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -70.66 -27.94 64.41 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.39 -0.819 . . . . 0.0 109.982 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.92 -52.86 61.4 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.416 -0.803 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.79 -38.06 85.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.33 -0.856 . . . . 0.0 110.165 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.503 ' O ' HG12 ' A' ' 28' ' ' VAL . . . -52.5 -39.34 61.15 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.302 -0.874 . . . . 0.0 110.463 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 26' ' ' LEU . 28.4 tp -80.71 -21.32 41.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.164 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.6 -32.69 31.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 0.0 109.157 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 25' ' ' ALA . 14.2 p -77.51 -25.42 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.602 -0.686 . . . . 0.0 109.852 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -48.85 13.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.485 -0.759 . . . . 0.0 110.049 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -28.48 69.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.46 -0.775 . . . . 0.0 110.176 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -75.94 -41.5 51.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.326 -0.859 . . . . 0.0 110.397 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.31 -53.31 59.22 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.248 -0.907 . . . . 0.0 110.337 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.96 -30.2 68.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.363 -0.836 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -51.43 62.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.118 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -56.95 -33.77 67.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.433 -0.792 . . . . 0.0 110.229 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -57.23 8.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.0 110.036 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.647 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 9.2 tt0 -72.65 -17.37 61.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.398 -0.814 . . . . 0.0 110.282 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -83.92 -59.91 2.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.333 -0.854 . . . . 0.0 109.634 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -50.91 -31.65 18.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.439 -0.788 . . . . 0.0 109.349 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -84.27 -35.33 23.45 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -65.8 -55.35 17.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.468 -0.77 . . . . 0.0 109.71 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 27.5 ptt180 -63.44 -31.97 73.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.815 . . . . 0.0 109.677 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -47.32 70.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.419 -0.801 . . . . 0.0 109.284 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.51 58.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.487 -0.758 . . . . 0.0 109.235 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -63.8 -32.45 73.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.503 -0.748 . . . . 0.0 110.013 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.82 -27.43 22.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.44 -0.787 . . . . 0.0 110.168 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.49 -21.59 55.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.39 -0.819 . . . . 0.0 110.288 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.6 -33.39 8.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.285 -0.884 . . . . 0.0 110.359 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.93 69.23 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.408 -0.808 . . . . 0.0 110.344 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.08 27.34 5.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.303 -0.873 . . . . 0.0 110.209 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -153.85 -47.3 0.09 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.355 -0.84 . . . . 0.0 110.13 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.92 17.86 22.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.328 -0.858 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.83 -44.61 0.2 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.514 ' O ' HD12 ' A' ' 54' ' ' ILE . 1.1 pp -83.57 57.19 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.382 -1.07 . . . . 0.0 110.211 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.21 -172.84 0.11 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.294 -0.879 . . . . 0.0 110.257 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.6 p -94.71 70.32 3.49 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.362 -0.836 . . . . 0.0 110.228 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.6 p -150.0 164.54 35.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.375 -0.828 . . . . 0.0 110.174 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -167.33 34.54 0.21 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.4 p -131.25 75.95 1.69 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.36 -1.083 . . . . 0.0 110.21 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -117.46 85.55 2.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.3 -0.875 . . . . 0.0 110.242 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.68 -41.1 63.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.336 -0.853 . . . . 0.0 110.079 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.513 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 22.3 m -118.5 84.19 2.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.377 -0.827 . . . . 0.0 110.208 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -57.88 -30.39 65.8 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.382 -0.824 . . . . 0.0 110.47 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -76.62 -30.09 56.76 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.144 -0.972 . . . . 0.0 109.356 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.513 ' HB2' ' HB3' ' A' ' 62' ' ' SER . . . -61.89 -44.53 96.61 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.515 -0.874 . . . . 0.0 108.868 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.6 -28.65 69.77 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' ' 67' ' ' LEU . 10.1 tt -76.38 -41.04 49.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.591 -0.693 . . . . 0.0 109.981 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -53.85 5.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.522 -0.736 . . . . 0.0 110.586 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.2 mtt -53.57 -41.36 66.43 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.119 -0.988 . . . . 0.0 110.597 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.8 m -69.95 -37.84 75.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.264 -0.898 . . . . 0.0 110.699 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 tp -84.2 -17.59 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.063 -1.023 . . . . 0.0 110.209 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -37.49 64.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.732 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -89.15 -23.15 22.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.449 -0.782 . . . . 0.0 110.169 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -88.32 -40.13 13.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.363 -0.836 . . . . 0.0 110.308 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -80.05 -33.94 38.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.274 -0.891 . . . . 0.0 110.233 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -119.23 97.91 5.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.341 -0.849 . . . . 0.0 110.188 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.03 -55.97 0.01 OUTLIER Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -96.2 103.02 14.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -1.088 . . . . 0.0 110.099 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -151.89 49.83 0.79 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.458 -0.777 . . . . 0.0 110.19 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.91 64.72 2.38 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -165.85 97.58 0.77 Allowed Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.362 -1.081 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.63 -8.47 22.54 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.692 1.364 . . . . 0.0 110.778 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.77 99.7 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.228 -0.92 . . . . 0.0 110.293 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.9 mt -99.52 -22.44 15.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.357 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.7 m -59.81 -29.82 68.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.302 -0.874 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -97.94 28.94 3.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.38 -0.825 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.9 mtt -122.41 141.67 51.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.44 -0.787 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.409 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 61.9 p -76.73 177.72 7.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -0.861 . . . . 0.0 110.18 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.84 -33.33 71.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.383 -0.823 . . . . 0.0 110.24 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 7.4 mp0 -80.92 -34.67 33.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.029 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.409 ' HB2' ' N ' ' A' ' 88' ' ' THR . 2.3 mm-40 -55.22 -61.94 1.99 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.325 -0.859 . . . . 0.0 109.899 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -60.16 -29.34 68.61 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.366 -0.834 . . . . 0.0 109.528 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.5 OUTLIER -67.93 -39.7 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.524 -0.735 . . . . 0.0 109.551 179.636 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.67 -28.26 69.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.322 -0.861 . . . . 0.0 109.737 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -85.03 -34.25 22.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.463 -0.773 . . . . 0.0 110.138 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.27 -30.47 30.63 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.413 -0.804 . . . . 0.0 110.466 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.4 ttt -83.7 -33.4 25.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.237 -0.915 . . . . 0.0 109.634 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -70.63 -39.98 73.37 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.507 -0.745 . . . . 0.0 109.887 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.2 mtp -77.29 -22.88 51.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.447 -0.783 . . . . 0.0 110.159 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.4 t -70.72 -41.44 71.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.321 -0.862 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.64 -14.38 52.03 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.298 -0.876 . . . . 0.0 110.591 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -104.13 -43.55 5.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.266 -0.896 . . . . 0.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.58 121.29 1.47 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -116.21 90.43 3.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.377 -1.073 . . . . 0.0 110.272 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -128.23 -60.64 1.12 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.346 -0.847 . . . . 0.0 110.238 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -104.1 -51.21 3.19 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.39 -0.818 . . . . 0.0 110.235 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 149.57 -76.17 0.25 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.25 79.19 1.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.346 -1.09 . . . . 0.0 110.174 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.41 26.84 6.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.351 -0.843 . . . . 0.0 110.234 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -119.05 48.84 1.4 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 0.0 110.197 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -100.9 30.34 4.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.448 -0.782 . . . . 0.0 110.171 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.185 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 37.1 m80 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.181 0.515 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.2 ttp 52.68 -163.17 0.09 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.386 -0.821 . . . . 0.0 110.426 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.0 25.29 11.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.429 -0.794 . . . . 0.0 109.409 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.75 56.46 3.0 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.46 -61.3 1.89 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.424 -1.044 . . . . 0.0 110.203 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.81 109.15 2.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.2 -4.25 49.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.395 -1.062 . . . . 0.0 110.599 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.427 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 1.4 t -61.07 -18.95 60.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.145 -0.972 . . . . 0.0 110.5 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.83 -36.86 75.22 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.231 -0.918 . . . . 0.0 110.442 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 84.5 t80 -103.71 8.82 37.34 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.293 -0.879 . . . . 0.0 110.392 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 8' ' ' SER . 15.5 tp10 -70.27 72.17 0.45 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.097 -1.002 . . . . 0.0 110.185 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 53.54 23.38 3.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.41 -0.806 . . . . 0.0 110.658 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.36 -13.92 40.18 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.0 t -80.64 -15.85 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.256 -1.143 . . . . 0.0 110.394 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.547 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -61.9 -179.64 0.23 Allowed Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.197 -0.94 . . . . 0.0 110.03 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.796 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 37.0 Cg_endo -61.09 78.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.298 0 O-C-N 123.663 1.349 . . . . 0.0 110.689 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER 69.67 47.31 0.65 Allowed 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 -179.393 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 43.18 29.68 0.23 Allowed 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.768 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.18 117.77 0.92 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.284 -0.885 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -75.08 -36.56 2.43 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 O-C-N 124.007 1.53 . . . . 0.0 110.299 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.46 -39.73 84.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.465 -0.772 . . . . 0.0 110.116 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -33.11 72.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.375 -0.828 . . . . 0.0 109.869 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.796 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . . . -61.87 -48.01 82.45 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.406 -0.809 . . . . 0.0 110.133 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.9 mm? -67.74 -28.53 67.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.378 -0.826 . . . . 0.0 110.132 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.72 84.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.337 -0.852 . . . . 0.0 110.191 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -72.36 -21.56 61.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.3 -0.875 . . . . 0.0 110.279 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -29.88 35.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.895 . . . . 0.0 109.305 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 24' ' ' LEU . 64.1 t -81.5 -27.18 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.561 -0.712 . . . . 0.0 109.839 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.3 m -76.63 -36.87 57.15 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.535 -0.728 . . . . 0.0 110.099 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.1 ttp -76.0 -28.14 57.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.22 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -33.97 51.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.355 -0.84 . . . . 0.0 110.063 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.87 -43.34 68.61 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.359 -0.838 . . . . 0.0 110.106 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -67.62 -28.33 67.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.521 -0.737 . . . . 0.0 110.053 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -47.94 18.5 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.206 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -59.8 -45.3 92.77 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 0.0 110.108 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -64.74 -46.44 82.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.839 . . . . 0.0 109.999 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.7 mm100 -72.8 -22.12 60.87 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 110.171 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -83.93 -63.02 1.42 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.485 -0.759 . . . . 0.0 109.601 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.79 -31.08 25.61 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.263 -0.898 . . . . 0.0 109.344 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -81.45 -38.59 26.17 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.622 -0.674 . . . . 0.0 109.4 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -73.29 -56.67 4.77 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.35 -0.844 . . . . 0.0 109.894 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -51.94 -41.29 61.92 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.478 -0.764 . . . . 0.0 110.269 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -60.65 -42.48 97.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.45 -0.781 . . . . 0.0 110.048 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.35 -32.06 73.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.44 -0.787 . . . . 0.0 109.97 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.4 -36.79 53.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -0.793 . . . . 0.0 110.133 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.9 95.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.347 -0.845 . . . . 0.0 110.151 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.02 -28.23 63.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -0.862 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.2 t -64.41 -62.86 1.34 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.367 -0.833 . . . . 0.0 110.154 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.22 68.77 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.415 -0.803 . . . . 0.0 110.182 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.21 -23.9 57.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.363 -0.836 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.78 -30.29 62.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.317 -0.864 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.15 33.76 3.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.263 -0.898 . . . . 0.0 110.286 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -134.28 -49.07 0.08 OUTLIER Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 54' ' ' ILE . 5.0 tp -140.81 85.96 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.438 -1.037 . . . . 0.0 109.967 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.13 20.51 16.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 0.0 110.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 p -79.67 139.83 37.25 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.308 -0.87 . . . . 0.0 110.093 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 t -125.27 -172.08 2.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.301 -0.874 . . . . 0.0 110.324 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.93 -127.49 2.06 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 59' ' ' THR . 6.1 t -169.05 77.06 0.11 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.357 -1.084 . . . . 0.0 110.239 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.72 66.5 0.9 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.312 -0.868 . . . . 0.0 110.374 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.04 -61.4 2.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.371 -0.831 . . . . 0.0 110.09 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.773 ' HB3' ' HB3' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -122.46 79.4 1.61 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.854 . . . . 0.0 110.062 179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -73.57 -45.7 51.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.412 -0.805 . . . . 0.0 110.381 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.04 -31.88 50.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.18 -0.95 . . . . 0.0 109.367 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.773 ' HB3' ' HB3' ' A' ' 62' ' ' SER . . . -61.19 -37.49 83.15 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 119.496 -0.881 . . . . 0.0 108.706 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 tp -70.17 -30.48 67.63 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 67' ' ' LEU . 4.0 tt -76.75 -35.44 57.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.581 -0.699 . . . . 0.0 109.706 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HA ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -84.39 -55.33 4.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.45 -0.781 . . . . 0.0 110.408 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.0 tpt -53.73 -44.67 70.07 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.196 -0.94 . . . . 0.0 110.498 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.1 m -66.72 -42.79 85.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.298 -0.876 . . . . 0.0 110.511 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 68' ' ' LYS . 5.5 tp -82.95 -8.48 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.187 -0.946 . . . . 0.0 110.433 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' LYS . 26.1 t -81.21 -37.82 28.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.29 -0.881 . . . . 0.0 109.842 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -89.04 -21.94 23.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.494 -0.754 . . . . 0.0 110.307 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.89 -39.37 12.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.276 -0.89 . . . . 0.0 110.365 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -81.16 -32.88 33.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.247 -0.908 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -128.66 56.17 1.67 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.322 -0.861 . . . . 0.0 110.197 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.22 -39.43 0.55 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -74.09 88.45 1.92 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.311 -1.111 . . . . 0.0 110.293 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 79' ' ' THR . 8.7 t -147.26 70.37 1.18 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.48 -0.763 . . . . 0.0 110.277 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.25 47.07 3.28 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.26 94.36 1.11 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.394 -1.063 . . . . 0.0 110.168 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.11 -31.89 11.55 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 O-C-N 123.689 1.363 . . . . 0.0 110.416 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t0 60.24 112.56 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.406 -0.809 . . . . 0.0 110.468 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.582 HD23 ' HE3' ' A' ' 87' ' ' MET . 17.4 mt -65.16 -36.83 85.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.334 -0.854 . . . . 0.0 110.262 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.1 p -60.92 -30.97 70.52 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.267 -0.895 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.1 m -97.23 33.68 1.92 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.391 -0.818 . . . . 0.0 110.114 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.582 ' HE3' HD23 ' A' ' 84' ' ' LEU . 6.7 mtm -129.74 121.25 26.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.366 -0.834 . . . . 0.0 110.248 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.7 p -66.55 -178.42 0.69 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.41 -0.806 . . . . 0.0 110.284 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.68 -35.46 76.33 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.38 -0.825 . . . . 0.0 110.197 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 17.7 mt-10 -80.12 -32.65 39.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 110.041 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.04 -61.97 2.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.263 -0.898 . . . . 0.0 109.774 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.405 ' OE1' HD22 ' A' ' 84' ' ' LEU . 31.8 mt-30 -59.7 -25.43 64.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.374 -0.829 . . . . 0.0 109.603 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.6 OUTLIER -71.77 -44.83 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.426 -0.796 . . . . 0.0 109.626 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.41 69.99 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.284 -0.885 . . . . 0.0 109.559 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -82.41 -50.48 8.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.528 -0.733 . . . . 0.0 109.829 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.51 73.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.483 -0.76 . . . . 0.0 109.964 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.493 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.1 ttm -77.26 -25.61 51.66 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.321 -0.862 . . . . 0.0 109.548 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -43.66 98.36 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.506 -0.747 . . . . 0.0 110.017 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.8 mtt -76.52 -34.58 58.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.437 -0.789 . . . . 0.0 110.13 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -23.92 67.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.381 -0.824 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 97' ' ' MET . 0.5 OUTLIER -59.49 -41.59 90.18 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -107.46 -28.54 9.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.319 -0.863 . . . . 0.0 110.213 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -99.93 86.95 0.7 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -166.96 104.67 0.56 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.381 -1.07 . . . . 0.0 110.182 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 51.92 90.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.329 -0.857 . . . . 0.0 110.472 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -130.19 -52.45 1.11 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.398 -0.814 . . . . 0.0 110.131 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 87.75 178.8 47.8 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.25 59.96 0.34 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.432 -1.04 . . . . 0.0 110.142 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -145.33 32.66 1.08 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.335 -0.853 . . . . 0.0 110.19 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.39 51.27 1.37 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.317 -0.864 . . . . 0.0 110.122 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m -77.41 -54.79 6.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.394 -0.816 . . . . 0.0 110.221 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.203 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.16 0.505 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.25 -178.3 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.344 -0.848 . . . . 0.0 110.413 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 mp -111.69 24.12 13.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.37 -0.831 . . . . 0.0 109.518 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.25 56.78 2.07 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.85 -64.4 0.97 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.403 -1.057 . . . . 0.0 110.401 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.35 124.43 1.14 Allowed Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.82 31.57 3.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.32 -1.106 . . . . 0.0 110.184 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 p -148.48 23.74 1.01 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 110.248 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.97 -22.24 36.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.56 113.28 6.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.375 -0.828 . . . . 0.0 109.963 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -95.23 146.39 24.37 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.39 -0.819 . . . . 0.0 109.653 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.588 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 12.5 t80 56.91 15.86 2.49 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.425 -0.797 . . . . 0.0 110.128 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.46 23.07 7.25 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 14' ' ' VAL . 51.5 t -105.12 24.11 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.41 -1.053 . . . . 0.0 110.231 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.403 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -62.95 174.96 0.72 Allowed Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.241 -0.912 . . . . 0.0 109.981 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 45.2 Cg_endo -71.51 -20.48 27.14 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.6 1.316 . . . . 0.0 110.74 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -13.09 61.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.295 -0.878 . . . . 0.0 110.508 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.5 -8.06 57.2 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.191 -0.943 . . . . 0.0 110.598 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.27 122.37 0.67 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 110.009 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -76.32 -36.36 1.84 Allowed 'Trans proline' 0 C--N 1.307 -1.63 0 O-C-N 123.968 1.509 . . . . 0.0 110.457 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.99 -35.03 77.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.352 -0.842 . . . . 0.0 109.996 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -31.49 59.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.816 . . . . 0.0 110.098 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.79 -29.53 64.56 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.319 -0.863 . . . . 0.0 109.942 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 28' ' ' VAL . 31.3 tp -76.05 -39.92 54.48 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.429 -0.794 . . . . 0.0 109.956 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.45 77.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.418 -0.801 . . . . 0.0 110.125 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -22.6 39.23 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.346 -0.846 . . . . 0.0 110.173 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -86.6 -26.87 24.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.275 -0.89 . . . . 0.0 109.775 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 24' ' ' LEU . 88.8 t -81.66 -29.63 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.449 -0.782 . . . . 0.0 109.97 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.2 m -81.67 -45.21 16.06 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.438 -0.789 . . . . 0.0 110.144 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.0 tpt -68.22 -41.23 81.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.486 -0.759 . . . . 0.0 110.163 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -66.14 -36.42 83.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.397 -0.814 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -64.12 -39.93 95.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.354 -0.842 . . . . 0.0 110.238 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.79 -39.99 87.98 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.33 -0.856 . . . . 0.0 110.269 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -37.34 81.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.395 -0.816 . . . . 0.0 110.202 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.53 -45.9 92.13 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.378 -0.826 . . . . 0.0 110.228 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -69.86 -34.3 73.42 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.273 -0.892 . . . . 0.0 110.202 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.692 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -78.58 -28.17 45.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.843 . . . . 0.0 110.165 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -83.99 -58.71 2.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.484 -0.76 . . . . 0.0 109.663 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -52.54 -31.77 37.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.474 -0.766 . . . . 0.0 109.439 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -84.55 -34.07 23.33 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.84 -53.78 41.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.468 -0.77 . . . . 0.0 109.662 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.522 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 5.5 ptt180 -65.97 -31.15 71.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.365 -0.834 . . . . 0.0 109.662 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -46.3 70.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.44 -0.787 . . . . 0.0 109.452 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.02 61.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.557 -0.715 . . . . 0.0 109.441 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -64.18 -32.35 73.9 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.478 -0.764 . . . . 0.0 110.048 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.62 -37.73 20.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.367 -0.833 . . . . 0.0 110.21 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.03 -29.16 68.89 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.382 -0.824 . . . . 0.0 110.227 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.07 -27.5 23.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 110.188 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.58 -29.05 51.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.192 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.55 -1.18 40.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.322 -0.861 . . . . 0.0 110.547 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.71 -31.83 69.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.187 -0.945 . . . . 0.0 110.182 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.1 -15.39 8.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.388 -0.82 . . . . 0.0 110.706 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.59 -41.5 12.99 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 mm -86.25 83.69 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.362 -1.081 . . . . 0.0 110.186 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -146.74 -164.33 1.96 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.416 -0.802 . . . . 0.0 110.137 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -122.32 115.28 22.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.283 -0.886 . . . . 0.0 110.222 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -122.29 43.19 2.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 110.256 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.15 -48.33 0.02 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -122.84 78.4 1.54 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.366 -1.079 . . . . 0.0 110.228 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' SER . 2.3 tm-20 -90.98 49.45 1.65 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.335 -0.853 . . . . 0.0 110.417 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 63' ' ' ASP . 4.3 m-20 -56.63 97.22 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' GLU . 38.9 m -50.52 81.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 CA-C-O 121.661 0.744 . . . . 0.0 110.516 -177.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' A' ' 61' ' ' ASP . 20.9 t70 -46.84 -29.92 2.22 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.124 0.488 . . . . 0.0 110.749 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -78.53 -33.73 47.73 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.277 -0.889 . . . . 0.0 109.112 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.35 81.96 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 119.518 -0.873 . . . . 0.0 108.719 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.14 -30.46 68.71 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.23 -37.73 57.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.545 -0.722 . . . . 0.0 109.465 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -79.39 -54.84 5.54 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.561 -0.712 . . . . 0.0 110.358 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 37.7 mtm -52.15 -40.3 61.19 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.182 -0.949 . . . . 0.0 110.628 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.8 m -67.67 -42.03 82.81 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.342 -0.848 . . . . 0.0 110.545 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 tp -85.21 -13.11 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.18 -0.95 . . . . 0.0 110.418 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.4 t -76.43 -36.74 57.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.205 -0.934 . . . . 0.0 109.759 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -89.99 -25.72 20.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.451 -0.781 . . . . 0.0 110.053 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -84.22 -39.28 19.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.434 -0.791 . . . . 0.0 110.194 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.54 -44.05 19.7 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.27 -0.894 . . . . 0.0 110.24 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -71.68 86.66 0.93 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.311 -0.868 . . . . 0.0 110.216 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.97 58.36 1.05 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.97 101.49 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.414 -1.051 . . . . 0.0 110.446 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m -125.43 59.84 1.25 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.349 -0.844 . . . . 0.0 110.166 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -114.1 32.91 5.7 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -165.93 99.25 0.74 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.337 -1.096 . . . . 0.0 110.29 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.07 -10.91 26.67 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.639 1.336 . . . . 0.0 110.641 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 52.25 92.82 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.207 -0.933 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mp -86.08 -28.4 24.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.316 -0.865 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.2 p -61.39 -32.43 72.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.328 -0.857 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.6 p -98.9 27.42 4.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.366 -0.834 . . . . 0.0 110.21 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 mtt -115.5 125.23 52.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.366 -0.834 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.412 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 69.0 p -67.39 179.31 1.3 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.428 -0.795 . . . . 0.0 110.187 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -60.08 -36.08 76.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.392 -0.817 . . . . 0.0 110.243 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 16.5 mt-10 -79.04 -33.34 44.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.868 . . . . 0.0 110.119 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.412 ' HB2' ' N ' ' A' ' 88' ' ' THR . 2.1 mm-40 -56.64 -61.51 2.37 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.304 -0.873 . . . . 0.0 110.001 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.7 -22.9 65.74 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.424 -0.798 . . . . 0.0 109.811 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.5 OUTLIER -74.03 -45.17 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.442 -0.786 . . . . 0.0 109.83 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.01 -31.33 70.95 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.25 -0.906 . . . . 0.0 109.758 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.4 -49.73 7.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -0.759 . . . . 0.0 110.019 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.6 77.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.437 -0.789 . . . . 0.0 110.013 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.9 ttp -81.02 -25.39 37.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.354 -0.841 . . . . 0.0 109.785 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -63.77 -42.18 97.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.514 -0.741 . . . . 0.0 109.979 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 36.8 mtt -82.8 -27.5 30.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.388 -0.82 . . . . 0.0 110.233 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 t -73.31 -21.2 60.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.258 -0.901 . . . . 0.0 110.515 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 61.99 2.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.269 -0.895 . . . . 0.0 110.269 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 51.83 85.22 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.3 -0.875 . . . . 0.0 110.485 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.88 -53.41 2.23 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.08 74.27 3.0 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.444 -1.033 . . . . 0.0 110.289 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -92.07 -48.34 6.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.345 -0.847 . . . . 0.0 110.136 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -152.39 -62.49 0.16 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.366 -0.834 . . . . 0.0 110.186 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -135.61 -151.15 6.12 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -116.08 75.08 0.93 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.36 -1.082 . . . . 0.0 110.115 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -118.48 76.5 1.09 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.36 -0.838 . . . . 0.0 110.247 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -68.01 -31.66 71.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.368 -0.832 . . . . 0.0 110.115 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.3 p -92.37 50.1 1.58 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.381 -0.824 . . . . 0.0 110.221 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.197 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.285 0.564 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.565 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -107.82 -28.86 9.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.315 -0.866 . . . . 0.0 110.171 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.565 ' CB ' ' O ' ' A' ' 2' ' ' MET . 1.8 tp 79.67 35.15 0.16 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -178.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.12 68.49 0.85 Allowed Glycine 0 N--CA 1.48 1.58 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -134.55 -47.42 0.75 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.331 -1.099 . . . . 0.0 110.188 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.92 73.1 1.36 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.41 -55.7 2.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.33 -1.1 . . . . 0.0 110.236 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.2 p -113.43 -19.16 11.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.356 -0.84 . . . . 0.0 110.461 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.82 -28.42 66.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.29 -0.881 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CD2' HG11 ' A' ' 14' ' ' VAL . 1.6 m-85 -92.79 85.12 5.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.347 -0.846 . . . . 0.0 110.125 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -148.72 58.28 1.05 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.42 -0.8 . . . . 0.0 110.168 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -164.43 -55.14 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.323 -0.861 . . . . 0.0 110.081 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.46 33.31 5.45 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.573 HG11 ' CD2' ' A' ' 10' ' ' PHE . 34.2 m -116.63 -25.63 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.403 -1.057 . . . . 0.0 110.405 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.54 173.27 0.17 Allowed Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.335 -0.853 . . . . 0.0 110.356 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.95 -18.01 36.38 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 O-C-N 123.724 1.381 . . . . 0.0 110.388 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -66.53 -23.76 66.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.151 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.31 -19.65 56.07 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.29 -0.881 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.6 119.88 0.73 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.307 -0.871 . . . . 0.0 109.933 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.37 -38.35 2.67 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 O-C-N 123.943 1.496 . . . . 0.0 110.407 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -39.54 92.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.355 -0.84 . . . . 0.0 109.961 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.04 -31.95 72.82 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.396 -0.815 . . . . 0.0 110.041 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.26 -51.5 56.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.331 -0.856 . . . . 0.0 110.185 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.84 -39.24 84.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.309 -0.87 . . . . 0.0 110.115 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.39 71.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.341 -0.849 . . . . 0.0 110.091 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -72.4 -23.59 61.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.359 -0.838 . . . . 0.0 110.221 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -80.45 -28.76 37.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.339 -0.851 . . . . 0.0 109.167 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.9 t -77.67 -29.84 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.619 -0.676 . . . . 0.0 109.64 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -76.61 -35.68 57.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.485 -0.759 . . . . 0.0 110.125 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -43.05 74.94 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.352 -0.843 . . . . 0.0 109.954 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -39.4 94.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.364 -0.835 . . . . 0.0 110.002 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.76 -42.85 99.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.322 -0.862 . . . . 0.0 109.989 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.33 -32.23 71.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.085 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -45.55 77.49 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.446 -0.784 . . . . 0.0 109.89 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.53 -29.64 66.48 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.44 -0.787 . . . . 0.0 109.995 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -87.22 -41.65 13.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.478 -0.764 . . . . 0.0 110.065 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.697 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -61.02 -30.57 70.38 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 0.0 110.03 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -83.97 -58.98 2.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.473 -0.767 . . . . 0.0 109.779 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -52.32 -34.03 45.16 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.493 -0.755 . . . . 0.0 109.305 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -82.15 -33.42 29.57 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -65.77 -50.82 63.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.382 -0.824 . . . . 0.0 109.77 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 8.2 ptt180 -67.99 -32.55 73.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.453 -0.78 . . . . 0.0 109.769 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -47.89 69.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.361 -0.837 . . . . 0.0 109.302 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.73 -23.1 53.05 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.561 -0.712 . . . . 0.0 109.179 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 42' ' ' ARG . . . -65.69 -31.71 72.87 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.486 -0.759 . . . . 0.0 109.989 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.84 -38.91 16.35 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.407 -0.808 . . . . 0.0 110.152 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.4 -26.52 68.5 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.443 -0.785 . . . . 0.0 110.19 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -90.54 -29.27 17.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.379 -0.826 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 -35.96 69.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.294 -0.879 . . . . 0.0 110.174 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.52 -23.14 56.66 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.349 -0.844 . . . . 0.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.6 tt0 -82.25 -26.53 33.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.401 -0.812 . . . . 0.0 110.268 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.18 -28.0 9.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.239 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.3 -71.95 1.16 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -80.49 -70.33 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.406 -1.055 . . . . 0.0 110.179 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' GLU . . . 51.73 -165.11 0.06 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.309 -0.869 . . . . 0.0 110.489 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.7 p -110.04 -173.65 2.31 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.369 -0.832 . . . . 0.0 110.171 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 57' ' ' THR . 8.2 t -151.81 127.95 10.47 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.34 -0.85 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.94 133.59 2.87 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -95.93 61.79 2.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -1.097 . . . . 0.0 110.208 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' SER . 4.3 tt0 -103.06 46.74 0.91 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 0.0 110.449 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -56.21 97.07 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.21 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.416 ' OG ' ' HB2' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -50.75 79.01 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.634 0.73 . . . . 0.0 110.756 -177.793 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 61' ' ' ASP . 20.7 t0 -70.16 -32.21 70.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.74 -0.6 . . . . 0.0 110.438 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -79.35 -34.39 42.13 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.202 -0.937 . . . . 0.0 109.392 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' HB2' ' OG ' ' A' ' 62' ' ' SER . . . -60.63 -37.07 80.25 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.76 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.6 -29.99 66.53 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 tt -76.02 -39.37 55.85 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.792 . . . . 0.0 109.773 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -51.48 7.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.477 -0.764 . . . . 0.0 110.368 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.3 tpt -56.16 -43.9 78.78 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.209 -0.932 . . . . 0.0 110.496 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.1 m -67.05 -41.69 86.07 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.898 . . . . 0.0 110.476 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 tp -80.26 -18.09 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.168 -0.957 . . . . 0.0 110.042 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -43.76 72.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.37 -0.831 . . . . 0.0 109.66 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -27.39 48.04 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.429 -0.794 . . . . 0.0 109.804 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -39.12 28.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.405 -0.809 . . . . 0.0 110.09 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.28 -47.47 67.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.284 -0.885 . . . . 0.0 109.968 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -88.51 83.63 6.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.482 -0.761 . . . . 0.0 110.113 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.61 -48.47 0.07 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -96.95 99.71 11.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.378 -1.071 . . . . 0.0 110.096 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -145.46 27.38 1.24 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.374 -0.829 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.01 34.58 5.58 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.535 HD12 ' OD1' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -161.72 94.73 1.33 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.362 -1.081 . . . . 0.0 110.325 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.1 117.55 5.16 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 O-C-N 123.763 1.401 . . . . 0.0 110.434 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.535 ' OD1' HD12 ' A' ' 81' ' ' LEU . 1.4 m-20 -110.51 64.58 0.61 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.398 -0.814 . . . . 0.0 110.144 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -37.16 77.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.38 -0.825 . . . . 0.0 110.219 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 t -63.45 -29.43 70.71 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.325 -0.859 . . . . 0.0 110.096 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.6 m -109.84 29.62 7.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.342 -0.849 . . . . 0.0 110.152 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.404 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . 2.2 mtt -106.66 137.36 44.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.459 -0.775 . . . . 0.0 110.136 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.8 p -70.47 168.4 16.27 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.378 -0.826 . . . . 0.0 110.208 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.27 -31.41 65.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.359 -0.838 . . . . 0.0 110.077 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.442 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 29.3 mt-10 -79.69 -35.68 38.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.467 -0.771 . . . . 0.0 109.961 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.99 -62.07 1.9 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.284 -0.885 . . . . 0.0 109.848 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' HG3' ' HB3' ' A' ' 87' ' ' MET . 45.2 mt-30 -59.15 -29.32 67.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.337 -0.852 . . . . 0.0 109.355 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -69.65 -36.53 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.588 -0.695 . . . . 0.0 109.283 179.399 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.08 72.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.384 -0.823 . . . . 0.0 109.575 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.22 -44.0 15.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.491 -0.756 . . . . 0.0 110.076 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.76 -28.07 62.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.4 -0.812 . . . . 0.0 110.387 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.3 tpt -83.25 -24.48 32.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.382 -0.824 . . . . 0.0 109.85 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -76.06 -33.86 59.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.408 -0.808 . . . . 0.0 110.078 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.1 mmm -85.12 -27.14 26.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.337 -0.852 . . . . 0.0 110.234 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -78.56 -23.6 46.04 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.32 -0.863 . . . . 0.0 110.356 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.18 64.89 0.57 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.258 -0.901 . . . . 0.0 110.096 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 52.04 37.0 20.17 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.268 -0.895 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.28 92.98 0.53 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -160.65 110.32 1.72 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -1.067 . . . . 0.0 110.195 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -64.74 -42.7 95.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 110.194 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -135.92 72.35 1.44 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.48 -0.762 . . . . 0.0 110.127 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.87 50.01 0.59 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.58 112.51 3.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.405 -1.056 . . . . 0.0 110.169 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.76 -69.38 0.83 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.236 -0.915 . . . . 0.0 110.24 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -124.08 79.57 1.74 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 0.0 110.257 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.8 t -137.3 -69.0 0.46 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.335 -0.853 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.192 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.235 0.54 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -167.68 -166.2 0.73 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 110.109 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.606 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 2.2 mp -111.03 24.72 12.57 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.439 -0.788 . . . . 0.0 109.481 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.99 -86.78 1.85 Allowed Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 tt -91.18 -33.99 15.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -1.081 . . . . 0.0 110.159 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.62 57.34 2.64 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.606 ' HB2' ' HA ' ' A' ' 3' ' ' LEU . . . -132.79 -62.26 0.82 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.425 -1.044 . . . . 0.0 110.189 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -101.03 28.07 5.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.387 -0.82 . . . . 0.0 110.157 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -33.81 54.07 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.351 -0.843 . . . . 0.0 109.977 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.0 p90 -153.17 24.82 0.54 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.392 -0.818 . . . . 0.0 110.298 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.38 104.75 1.96 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.365 -0.835 . . . . 0.0 110.325 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 53.48 40.17 31.01 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.386 -0.821 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.34 29.94 2.75 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 15' ' ' ASP . 35.0 m -144.77 -40.66 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.347 -1.09 . . . . 0.0 110.418 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' SER . 27.4 p30 -135.4 163.34 51.54 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.248 -0.908 . . . . 0.0 110.054 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 15' ' ' ASP . 35.3 Cg_endo -58.02 72.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 O-C-N 123.867 1.456 . . . . 0.0 111.721 -178.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' ASP . 1.2 t 63.36 35.51 12.22 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.524 0.678 . . . . 0.0 109.315 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' SER . . . 36.32 37.32 0.05 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.348 0.594 . . . . 0.0 111.035 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.57 121.52 0.62 Allowed Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.415 -0.803 . . . . 0.0 109.916 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -72.33 -30.71 12.45 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.071 1.563 . . . . 0.0 110.346 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.71 -40.95 96.22 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.332 -0.855 . . . . 0.0 109.903 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -31.26 68.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.417 -0.802 . . . . 0.0 109.859 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.33 85.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.37 -0.832 . . . . 0.0 109.836 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.33 -40.07 95.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.432 -0.792 . . . . 0.0 109.939 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.3 73.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.447 -0.783 . . . . 0.0 110.008 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -24.22 62.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.799 . . . . 0.0 110.098 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.81 -28.89 44.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.842 . . . . 0.0 109.062 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.19 -26.4 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.55 -0.719 . . . . 0.0 109.691 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.56 -46.38 26.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.436 -0.79 . . . . 0.0 110.036 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -43.45 92.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.445 -0.785 . . . . 0.0 110.013 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -63.85 -39.07 93.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.414 -0.804 . . . . 0.0 110.208 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.68 -46.2 79.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.424 -0.798 . . . . 0.0 110.213 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -61.44 -36.29 79.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.421 -0.799 . . . . 0.0 110.117 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.3 -40.35 95.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.441 -0.787 . . . . 0.0 110.097 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.69 -31.0 72.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.339 -0.851 . . . . 0.0 110.174 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -85.05 -45.75 11.83 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.357 -0.84 . . . . 0.0 110.272 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.695 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -62.76 -27.27 69.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.336 -0.852 . . . . 0.0 110.235 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -84.26 -58.6 2.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.425 -0.797 . . . . 0.0 109.823 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -50.78 -34.99 29.61 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.515 -0.74 . . . . 0.0 109.46 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.9 -34.62 26.6 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.641 -0.662 . . . . 0.0 109.251 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.49 -51.98 60.24 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.347 -0.846 . . . . 0.0 109.743 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 36.0 ptt85 -64.07 -29.94 71.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.38 -0.825 . . . . 0.0 109.766 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -57.03 -43.65 82.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.234 -0.916 . . . . 0.0 109.185 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.06 -23.76 62.2 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.899 -0.72 . . . . 0.0 109.48 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -68.85 -25.5 64.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.462 -0.774 . . . . 0.0 110.034 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.17 -33.62 16.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.382 -0.824 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.75 -26.74 60.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.316 -0.865 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -95.36 -27.04 15.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.357 -0.839 . . . . 0.0 110.404 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 45' ' ' ALA . . . -73.33 -31.85 64.23 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.412 -0.805 . . . . 0.0 110.283 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.16 10.49 37.55 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.462 -0.774 . . . . 0.0 110.647 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -117.4 -32.13 5.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.176 -0.953 . . . . 0.0 110.244 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.89 -26.99 9.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -0.865 . . . . 0.0 110.311 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.81 -18.78 50.22 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 tt -58.42 -28.14 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.166 -1.196 . . . . 0.0 110.283 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.59 99.0 8.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.365 -0.834 . . . . 0.0 110.252 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 56' ' ' THR . 9.1 t -164.01 56.1 0.16 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.352 -0.842 . . . . 0.0 110.335 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.3 m -106.8 -13.75 15.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.325 -0.86 . . . . 0.0 110.511 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.91 30.6 6.04 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 59' ' ' THR . 10.1 t -84.32 58.69 4.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.441 -1.035 . . . . 0.0 110.239 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -137.19 57.88 1.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.342 -0.849 . . . . 0.0 110.105 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -120.73 -42.55 2.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.433 -0.792 . . . . 0.0 110.247 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 59.7 m -123.42 87.18 2.7 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.405 -0.809 . . . . 0.0 110.36 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.64 -31.56 70.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.431 -0.793 . . . . 0.0 110.187 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -75.28 -28.18 59.67 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.223 -0.923 . . . . 0.0 109.163 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.434 ' HB2' ' HB3' ' A' ' 62' ' ' SER . . . -63.21 -42.63 99.33 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 119.58 -0.848 . . . . 0.0 108.734 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -30.17 71.13 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tt -76.35 -41.02 49.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.539 -0.725 . . . . 0.0 110.02 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -78.27 -53.0 7.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.467 -0.771 . . . . 0.0 110.3 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.4 tpt -52.23 -40.55 61.77 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.25 -0.906 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.8 m -66.68 -45.16 79.74 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.349 -0.844 . . . . 0.0 110.471 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 71' ' ' ILE . 5.8 tp -80.54 -16.2 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m -70.41 -43.34 70.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.354 -0.841 . . . . 0.0 109.626 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -79.76 -28.38 40.39 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 109.787 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -40.3 42.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.41 -0.806 . . . . 0.0 109.938 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.66 -52.08 48.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.356 -0.84 . . . . 0.0 110.066 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -75.5 102.87 5.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.393 -0.817 . . . . 0.0 110.161 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.2 -54.35 0.68 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.26 100.52 10.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.346 -1.09 . . . . 0.0 110.157 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -151.18 75.65 1.19 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.385 -0.822 . . . . 0.0 110.289 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.2 50.33 0.79 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.58 93.65 1.55 Allowed Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.325 -1.103 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -73.1 -15.61 25.73 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 O-C-N 123.729 1.383 . . . . 0.0 110.485 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.18 83.25 0.08 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.236 -0.915 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.9 mt -67.59 -21.5 65.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.383 -0.823 . . . . 0.0 110.248 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.56 -24.0 59.74 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.337 -0.852 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.6 p -95.97 27.73 3.46 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.237 -0.915 . . . . 0.0 110.311 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 154.75 43.13 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.441 -0.787 . . . . 0.0 110.121 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.6 p -82.19 168.49 17.63 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.342 -0.849 . . . . 0.0 110.233 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.12 -29.1 63.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.44 -0.787 . . . . 0.0 110.174 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 2.7 mt-10 -79.97 -37.59 34.03 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.352 -0.843 . . . . 0.0 109.852 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -61.9 2.01 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.352 -0.842 . . . . 0.0 109.782 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -59.17 -27.55 65.78 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.382 -0.824 . . . . 0.0 109.493 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -68.31 -45.22 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.604 -0.685 . . . . 0.0 109.524 179.485 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -58.05 -34.38 70.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 109.601 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -83.17 -26.77 30.59 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.486 -0.759 . . . . 0.0 110.039 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.62 -35.03 40.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.359 -0.838 . . . . 0.0 110.107 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.1 mtm -78.66 -25.74 44.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.311 -0.868 . . . . 0.0 109.388 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -76.23 -31.74 58.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.565 -0.71 . . . . 0.0 109.819 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -38.51 59.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.475 -0.765 . . . . 0.0 109.982 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.8 m -64.39 -48.28 76.03 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.441 -0.787 . . . . 0.0 110.112 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -36.77 85.41 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.397 -0.815 . . . . 0.0 110.136 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -97.6 57.4 1.37 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.407 -0.808 . . . . 0.0 110.206 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.37 -38.55 95.09 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.7 93.19 2.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.369 -1.077 . . . . 0.0 110.123 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.61 -35.7 81.58 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 110.225 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -136.05 -44.01 0.64 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 110.247 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.87 73.29 0.73 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -149.96 69.98 1.03 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.329 -1.101 . . . . 0.0 110.187 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -167.63 103.63 0.5 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.235 -0.916 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 51.95 93.99 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.324 -0.86 . . . . 0.0 110.484 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.2 m -73.64 -170.23 0.82 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.416 -0.802 . . . . 0.0 110.259 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.223 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.2 p80 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.143 0.496 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.35 -174.79 5.35 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.433 -0.792 . . . . 0.0 110.183 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -111.91 26.61 10.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.474 -0.766 . . . . 0.0 109.463 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.29 -130.79 7.07 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mp -112.13 -29.03 7.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.359 -1.083 . . . . 0.0 110.158 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.21 123.96 1.3 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.93 30.25 3.11 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.325 -1.103 . . . . 0.0 110.317 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.6 p -143.86 26.7 1.53 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.353 -0.842 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.59 -14.34 21.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.317 -0.864 . . . . 0.0 110.526 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -77.99 80.55 4.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.148 -0.97 . . . . 0.0 110.243 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -164.72 35.16 0.07 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.338 -0.851 . . . . 0.0 110.5 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -170.18 -44.36 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.356 -0.84 . . . . 0.0 110.225 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.15 -15.2 56.38 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.4 t -80.43 -60.56 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.138 -1.213 . . . . 0.0 110.109 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -152.58 155.41 32.65 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.863 . . . . 0.0 110.243 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.82 -17.56 32.68 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 O-C-N 123.798 1.42 . . . . 0.0 110.483 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -63.8 -16.47 61.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.892 . . . . 0.0 110.33 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.99 -29.32 60.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.227 -0.921 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.98 118.21 0.67 Allowed Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.472 -0.767 . . . . 0.0 110.255 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -74.51 -36.14 3.2 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 O-C-N 123.941 1.495 . . . . 0.0 110.398 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.09 -39.8 91.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.452 -0.78 . . . . 0.0 110.289 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -71.86 -32.12 67.17 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.339 -0.851 . . . . 0.0 110.026 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.04 67.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.357 -0.839 . . . . 0.0 110.072 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -71.72 -45.1 62.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.331 -0.855 . . . . 0.0 110.047 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.0 76.66 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.351 -0.843 . . . . 0.0 110.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' A' ' 26' ' ' LEU . 48.6 tp -75.16 -21.34 58.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.352 -0.843 . . . . 0.0 110.332 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -80.57 -30.6 36.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 0.0 109.188 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.0 t -77.77 -28.43 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.658 -0.651 . . . . 0.0 109.703 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 m -77.66 -36.88 50.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.482 -0.761 . . . . 0.0 109.995 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 15.3 mtm -68.87 -37.13 78.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.453 -0.779 . . . . 0.0 110.037 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.88 -40.82 79.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.41 -0.807 . . . . 0.0 110.1 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -60.75 -44.82 96.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.271 -0.893 . . . . 0.0 110.058 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -33.11 72.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.331 -0.856 . . . . 0.0 110.023 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -37.18 71.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.431 -0.793 . . . . 0.0 109.928 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.65 -41.48 90.63 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.494 -0.754 . . . . 0.0 110.082 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -46.16 65.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.41 -0.806 . . . . 0.0 109.994 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.672 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -65.12 -24.73 67.5 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.32 -0.862 . . . . 0.0 110.035 179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -83.82 -58.56 2.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.452 -0.78 . . . . 0.0 109.514 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.86 -33.35 35.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.515 -0.741 . . . . 0.0 109.323 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -83.24 -33.64 26.03 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.39 -54.24 35.99 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.481 -0.762 . . . . 0.0 109.581 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 20.7 ptt85 -65.88 -30.44 71.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.442 -0.786 . . . . 0.0 109.575 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -44.41 68.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.376 -0.828 . . . . 0.0 109.312 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.87 -24.58 59.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.546 -0.721 . . . . 0.0 109.373 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -67.58 -34.82 77.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.507 -0.745 . . . . 0.0 109.972 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.89 -38.93 16.27 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.414 -0.804 . . . . 0.0 110.124 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.12 -37.11 83.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.405 -0.809 . . . . 0.0 110.084 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.46 -32.91 37.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.429 -0.795 . . . . 0.0 110.063 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.15 -28.94 64.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.36 -0.838 . . . . 0.0 110.04 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.47 16.95 14.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.457 -0.777 . . . . 0.0 110.242 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.38 -43.87 0.77 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 0.0 109.912 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.44 -26.91 60.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 0.0 109.924 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.38 -97.41 0.72 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.511 HG23 ' N ' ' A' ' 55' ' ' ALA . 4.9 tp -140.31 -42.04 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.323 -1.104 . . . . 0.0 110.289 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.511 ' N ' HG23 ' A' ' 54' ' ' ILE . . . -175.04 -73.63 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.187 -0.946 . . . . 0.0 110.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.7 p -113.06 -168.33 1.31 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.084 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.5 m -142.9 85.82 1.9 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.342 -0.849 . . . . 0.0 110.192 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.23 -76.36 0.02 OUTLIER Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.8 p -131.06 101.63 5.68 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.347 -1.09 . . . . 0.0 110.308 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.58 58.52 1.61 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.477 -0.764 . . . . 0.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.45 -44.8 23.76 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.315 -0.866 . . . . 0.0 110.091 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -133.77 105.27 6.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.409 -0.807 . . . . 0.0 110.005 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.93 -33.12 49.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.304 -0.872 . . . . 0.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.79 -31.5 57.03 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.16 -0.962 . . . . 0.0 109.242 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 62' ' ' SER . . . -60.45 -49.24 78.33 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.531 -0.867 . . . . 0.0 108.86 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.437 ' O ' ' CG2' ' A' ' 70' ' ' THR . 7.8 tt -61.01 -28.58 69.15 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 tt -77.26 -33.99 55.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.635 -0.665 . . . . 0.0 109.616 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -82.94 -56.74 3.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.493 -0.754 . . . . 0.0 110.107 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.9 mtt -52.22 -37.96 56.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.274 -0.891 . . . . 0.0 110.734 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 66' ' ' LEU . 7.7 t -72.05 -39.13 69.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.2 -0.938 . . . . 0.0 110.277 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.441 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 4.0 tp -85.71 -8.01 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.266 -0.896 . . . . 0.0 110.34 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -85.28 -40.12 16.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 109.754 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -92.45 -20.3 21.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.438 -0.789 . . . . 0.0 110.19 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -93.48 -33.06 13.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.304 -0.873 . . . . 0.0 110.427 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 5.6 tm-20 -91.27 -35.24 14.58 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.259 -0.901 . . . . 0.0 110.13 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -116.48 81.02 1.55 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 110.176 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.4 -68.57 0.01 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -105.2 108.01 19.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -1.053 . . . . 0.0 110.082 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 m -143.1 16.68 1.91 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.361 -0.837 . . . . 0.0 110.486 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.54 13.86 66.58 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -174.89 95.56 0.28 Allowed Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.168 -1.195 . . . . 0.0 110.194 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.57 108.49 2.55 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.694 1.365 . . . . 0.0 110.475 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.05 73.26 10.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.365 -0.834 . . . . 0.0 110.193 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.49 -25.77 66.32 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.412 -0.805 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -32.67 69.36 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.376 -0.828 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -119.24 44.95 2.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 110.212 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 mtt -110.76 140.08 45.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.398 -0.814 . . . . 0.0 110.142 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.7 p -73.34 171.02 13.84 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.462 -0.774 . . . . 0.0 110.31 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.87 -33.55 66.96 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.396 -0.815 . . . . 0.0 110.184 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 8.7 mt-10 -80.62 -33.74 35.6 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.348 -0.845 . . . . 0.0 110.164 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -55.95 -62.26 1.82 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.318 -0.864 . . . . 0.0 110.013 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.07 -25.02 66.65 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.46 -0.775 . . . . 0.0 109.595 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -71.66 -43.71 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.464 -0.772 . . . . 0.0 109.623 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.98 -30.07 70.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.351 -0.843 . . . . 0.0 109.657 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -85.92 -46.26 10.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.468 -0.77 . . . . 0.0 110.026 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.9 64.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 110.18 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.431 ' O ' HD12 ' A' ' 101' ' ' LEU . 17.1 ttm -83.22 -29.34 28.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 109.672 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.565 ' HA ' HD12 ' A' ' 101' ' ' LEU . 7.8 tt0 -68.84 -32.92 72.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.459 -0.776 . . . . 0.0 109.862 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.9 mmm -87.27 -21.6 25.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.481 -0.762 . . . . 0.0 110.205 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -81.85 -28.49 32.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.267 -0.896 . . . . 0.0 110.365 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 98' ' ' GLN . 13.9 mt -61.17 -39.27 89.5 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.332 -0.855 . . . . 0.0 110.132 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -105.17 42.64 1.2 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.418 -0.801 . . . . 0.0 110.117 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -102.66 -119.41 4.59 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -162.04 81.15 0.55 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.361 -1.082 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.7 61.79 6.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.38 -0.825 . . . . 0.0 110.22 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.46 85.42 1.13 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.379 -0.825 . . . . 0.0 110.186 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 91.75 -50.34 2.88 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -94.02 52.63 1.66 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.405 -1.056 . . . . 0.0 110.156 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' SER . . . -93.66 -35.28 12.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.39 -0.819 . . . . 0.0 110.265 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.34 -78.36 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.552 -0.718 . . . . 0.0 110.403 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' ALA . 14.5 t -77.54 141.27 39.67 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.322 -0.861 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.183 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.176 0.512 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.88 179.97 7.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.424 -0.797 . . . . 0.0 110.215 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 tp -112.13 25.45 11.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.34 -0.85 . . . . 0.0 109.555 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.22 1.26 89.0 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 53.27 82.39 0.08 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.083 -1.246 . . . . 0.0 110.341 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.66 -13.6 83.34 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 54.86 25.7 6.98 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.131 -1.217 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.17 -38.25 2.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.329 -0.857 . . . . 0.0 110.202 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.41 -36.97 79.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.418 -0.801 . . . . 0.0 110.177 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.28 103.63 6.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.316 -0.865 . . . . 0.0 110.156 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.52 44.53 1.11 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.447 -0.783 . . . . 0.0 110.214 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -131.39 30.88 4.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.471 -0.768 . . . . 0.0 110.276 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.16 -26.64 3.37 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.663 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 61.1 t 52.95 32.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.344 -1.092 . . . . 0.0 110.13 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.436 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.5 OUTLIER 60.22 176.1 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.801 0 O-C-N 121.381 -0.825 . . . . 0.0 110.05 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 43.2 Cg_endo -69.69 -18.0 37.58 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.668 1.351 . . . . 0.0 110.356 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -21.92 65.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.363 -0.835 . . . . 0.0 109.945 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . . . -53.83 -31.48 49.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.311 -0.868 . . . . 0.0 110.52 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -148.85 109.7 3.52 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.37 -0.831 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -74.69 -40.13 1.14 Allowed 'Trans proline' 0 C--N 1.306 -1.676 0 O-C-N 124.084 1.57 . . . . 0.0 110.421 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.45 -41.78 69.85 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.34 -0.85 . . . . 0.0 110.201 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.91 -38.08 85.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.361 -0.837 . . . . 0.0 109.795 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.91 -37.21 78.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.519 -0.738 . . . . 0.0 110.057 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -73.65 -34.2 64.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.304 -0.872 . . . . 0.0 109.976 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.82 97.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.382 -0.824 . . . . 0.0 110.083 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 26' ' ' LEU . 48.8 tp -76.15 -21.56 56.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.318 -0.864 . . . . 0.0 110.311 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -80.56 -29.32 37.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.877 . . . . 0.0 109.389 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 24' ' ' LEU . 85.0 t -78.63 -28.81 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.566 -0.708 . . . . 0.0 109.796 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 t -74.84 -45.61 42.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.444 -0.785 . . . . 0.0 110.033 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -64.09 -37.95 89.3 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.416 -0.803 . . . . 0.0 110.075 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.7 -34.32 75.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.427 -0.795 . . . . 0.0 110.088 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -62.71 -51.36 67.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.361 -0.837 . . . . 0.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -58.63 -33.16 69.74 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.313 -0.867 . . . . 0.0 110.149 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -40.02 67.23 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.393 -0.817 . . . . 0.0 110.031 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -35.76 69.76 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.406 -0.809 . . . . 0.0 110.091 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.68 -43.07 63.57 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.425 -0.797 . . . . 0.0 109.908 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -72.71 -21.93 60.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.426 -0.796 . . . . 0.0 110.071 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.44 -58.34 3.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.47 -0.769 . . . . 0.0 109.538 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.56 -31.81 37.8 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.421 -0.799 . . . . 0.0 109.148 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -84.59 -34.64 23.12 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -64.39 -53.9 41.2 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.47 -0.769 . . . . 0.0 109.501 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 33.9 ptt85 -63.56 -30.95 71.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.388 -0.82 . . . . 0.0 109.571 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -44.56 71.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.42 -0.8 . . . . 0.0 109.273 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.96 -23.18 60.64 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.502 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -68.97 -34.0 74.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.495 -0.753 . . . . 0.0 110.052 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.73 -39.88 15.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.406 -0.809 . . . . 0.0 110.167 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.47 -28.03 68.01 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.318 -0.864 . . . . 0.0 110.143 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.23 -28.34 15.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.377 -0.827 . . . . 0.0 110.111 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.27 -25.87 66.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.372 -0.83 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.41 -26.45 65.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.342 -0.849 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.26 -33.01 72.6 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.405 -0.81 . . . . 0.0 110.13 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.36 -28.51 38.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.327 -0.858 . . . . 0.0 110.103 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.08 -69.73 1.19 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.0 pt -122.98 -140.01 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -1.1 . . . . 0.0 109.771 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.54 -66.83 0.09 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.054 -1.029 . . . . 0.0 110.168 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.6 p -112.16 137.43 50.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.358 -0.839 . . . . 0.0 110.152 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -119.81 -170.6 1.98 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.359 -0.838 . . . . 0.0 110.252 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.69 82.59 0.16 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.2 m -117.68 55.42 0.87 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -1.084 . . . . 0.0 110.203 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -143.61 71.68 1.33 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.807 . . . . 0.0 110.196 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -100.5 -61.27 1.39 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.312 -0.868 . . . . 0.0 110.103 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.445 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 35.2 m -114.17 79.59 1.28 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.312 -0.867 . . . . 0.0 110.178 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -29.96 70.76 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.376 -0.827 . . . . 0.0 110.197 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -77.6 -32.15 53.43 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.215 -0.928 . . . . 0.0 109.331 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 62' ' ' SER . . . -60.91 -37.12 81.15 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.5 -0.88 . . . . 0.0 108.823 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -30.95 67.79 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.542 HD23 ' C ' ' A' ' 67' ' ' LEU . 7.2 tt -74.52 -40.9 61.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.556 -0.715 . . . . 0.0 109.616 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 72' ' ' SER . 8.4 mmtt -81.07 -53.37 6.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.545 -0.722 . . . . 0.0 110.334 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 ttt -54.08 -41.13 67.87 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.206 -0.934 . . . . 0.0 110.636 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -68.1 -43.32 78.74 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.27 -0.894 . . . . 0.0 110.552 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.6 tp -83.44 -13.17 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 110.511 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LYS . 48.3 t -75.5 -46.18 33.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 0.0 109.887 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -79.41 -28.32 41.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.399 -0.813 . . . . 0.0 110.018 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -78.56 -46.98 18.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.365 -0.834 . . . . 0.0 110.111 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -45.68 93.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.39 -0.819 . . . . 0.0 110.047 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -64.07 -20.84 66.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.361 -0.837 . . . . 0.0 110.336 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -94.9 23.66 31.96 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.14 10.17 41.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.326 -1.102 . . . . 0.0 110.508 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 79' ' ' THR . 10.1 t -88.36 73.81 8.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.226 -0.921 . . . . 0.0 110.319 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -94.94 28.62 11.01 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.9 95.61 1.13 Allowed Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.417 -1.049 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.76 -9.37 25.63 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.716 1.377 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 56.28 54.57 7.56 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.167 -0.958 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.533 HD23 ' HE3' ' A' ' 87' ' ' MET . 33.9 mt -60.09 -28.26 67.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.33 -0.856 . . . . 0.0 110.183 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -21.39 65.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 0.0 110.301 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -95.04 25.88 3.96 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.246 -0.909 . . . . 0.0 110.402 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.533 ' HE3' HD23 ' A' ' 84' ' ' LEU . 8.8 mtm -133.03 155.72 48.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.306 -0.871 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 76.2 p -57.56 155.24 9.95 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.349 -0.845 . . . . 0.0 110.067 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.64 -26.95 36.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.303 -0.873 . . . . 0.0 110.342 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -85.48 -34.62 21.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.424 -0.797 . . . . 0.0 110.116 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.03 -59.53 5.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.304 -0.873 . . . . 0.0 109.206 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -59.8 -21.65 61.14 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.482 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -75.06 -45.58 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.452 -0.78 . . . . 0.0 109.366 179.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -56.94 -35.22 68.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.366 -0.834 . . . . 0.0 109.566 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -81.36 -37.21 28.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.562 -0.712 . . . . 0.0 110.064 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.41 -30.56 66.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.337 -0.852 . . . . 0.0 110.283 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -25.42 37.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.349 -0.844 . . . . 0.0 109.746 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -36.65 68.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.452 -0.78 . . . . 0.0 109.894 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 38.3 tpp -79.32 -26.23 42.21 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.448 -0.782 . . . . 0.0 110.194 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.7 p -73.95 -28.31 61.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.355 -0.84 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -87.64 53.5 2.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.346 -0.846 . . . . 0.0 110.201 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -120.02 -28.94 5.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.361 -0.837 . . . . 0.0 110.464 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.44 54.57 1.07 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.9 80.69 1.65 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.359 -1.083 . . . . 0.0 110.108 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -58.42 -27.63 64.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.411 -0.805 . . . . 0.0 110.248 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -151.94 -54.96 0.13 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.359 -0.838 . . . . 0.0 110.23 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 150.47 -48.75 0.57 Allowed Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -128.62 92.5 3.43 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.35 -1.088 . . . . 0.0 110.245 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -165.07 71.71 0.18 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.386 -0.821 . . . . 0.0 110.17 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 52.36 91.91 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.336 -0.852 . . . . 0.0 110.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.8 p -95.9 119.23 34.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.185 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 43.9 t60 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.184 0.516 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.9 -172.45 2.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.359 -0.838 . . . . 0.0 110.238 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.4 mt -111.0 24.62 12.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.438 -0.788 . . . . 0.0 109.408 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 77.03 1.02 Allowed Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.41 -71.74 0.18 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.399 -1.059 . . . . 0.0 110.16 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.67 128.92 9.64 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.531 ' HB1' ' OE2' ' A' ' 11' ' ' GLU . . . -114.69 25.41 11.01 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.334 -1.098 . . . . 0.0 110.239 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.12 -39.76 2.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.284 -0.885 . . . . 0.0 110.261 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.86 -41.04 97.35 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.347 -0.846 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.449 ' HD1' HG21 ' A' ' 14' ' ' VAL . 34.8 m-85 -132.02 100.04 4.93 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.43 -0.794 . . . . 0.0 110.214 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' OE2' ' HB1' ' A' ' 7' ' ' ALA . 2.3 tt0 -167.51 49.49 0.06 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.338 -0.851 . . . . 0.0 110.211 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -147.25 26.73 1.06 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.41 -0.806 . . . . 0.0 110.231 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.46 -30.31 4.98 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG21 ' HD1' ' A' ' 10' ' ' PHE . 34.9 m -61.27 -19.92 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.374 -1.074 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -129.1 165.33 32.99 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.376 -0.827 . . . . 0.0 110.093 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.29 -21.79 30.54 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 O-C-N 123.848 1.446 . . . . 0.0 110.652 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 t -60.06 -22.59 62.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.297 -0.877 . . . . 0.0 110.269 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.95 -23.74 66.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.313 -0.867 . . . . 0.0 110.346 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -169.54 123.64 0.68 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 0.0 110.008 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -75.71 -40.16 0.82 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 124.027 1.54 . . . . 0.0 110.414 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.29 -38.71 90.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -32.55 66.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.431 -0.793 . . . . 0.0 110.147 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -34.84 67.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.361 -0.837 . . . . 0.0 110.175 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -67.78 -44.24 77.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.39 -0.819 . . . . 0.0 109.974 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.2 72.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 110.045 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -70.9 -21.31 62.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.458 -0.776 . . . . 0.0 110.224 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -84.98 -33.54 22.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -0.874 . . . . 0.0 109.448 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 24' ' ' LEU . 59.0 t -72.9 -29.03 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.458 -0.776 . . . . 0.0 109.824 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -79.27 -46.17 18.32 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.442 -0.786 . . . . 0.0 110.123 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 48.7 tpp -64.5 -33.83 76.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 0.0 110.045 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -72.0 -36.63 69.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.31 -0.869 . . . . 0.0 110.086 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.57 -43.87 83.81 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.354 -0.841 . . . . 0.0 109.941 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -36.37 82.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.369 -0.832 . . . . 0.0 110.002 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -35.72 75.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.371 -0.83 . . . . 0.0 110.049 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.54 -39.36 90.79 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.337 -0.852 . . . . 0.0 110.001 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.9 mtt85 -71.8 -37.38 70.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.819 . . . . 0.0 109.926 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.532 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 4.4 tp-100 -74.91 -24.61 58.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.44 -0.788 . . . . 0.0 110.137 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -77.32 -53.96 7.05 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.389 -0.82 . . . . 0.0 109.417 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -54.27 -32.4 56.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.373 -0.83 . . . . 0.0 108.813 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.36 -36.04 21.01 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.709 -0.619 . . . . 0.0 109.39 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -67.41 -56.86 7.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.349 -0.844 . . . . 0.0 109.783 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -59.52 -36.19 75.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.388 -0.82 . . . . 0.0 110.151 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -42.63 76.96 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.293 -0.879 . . . . 0.0 110.041 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.79 -28.24 63.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.384 -0.823 . . . . 0.0 109.906 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.44 -39.49 64.93 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.382 -0.824 . . . . 0.0 110.096 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.51 -39.27 88.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.401 -0.812 . . . . 0.0 110.147 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -34.65 78.88 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.331 -0.856 . . . . 0.0 110.09 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -51.97 9.84 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.369 -0.832 . . . . 0.0 110.118 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.3 -24.19 66.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.412 -0.805 . . . . 0.0 110.207 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' CB ' ' A' ' 55' ' ' ALA . . . -94.67 20.54 8.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.887 . . . . 0.0 110.405 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -149.56 -59.88 0.21 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.872 . . . . 0.0 110.221 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.06 29.11 7.38 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.344 -0.848 . . . . 0.0 110.245 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' C ' HG23 ' A' ' 54' ' ' ILE . . . -119.76 -91.89 1.34 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.434 HG23 ' C ' ' A' ' 53' ' ' GLY . 4.4 pt -147.71 47.06 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.326 -1.102 . . . . 0.0 110.217 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -117.65 -176.2 2.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.349 -0.844 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.44 57.08 0.88 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.362 -0.836 . . . . 0.0 110.129 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.5 t -135.59 170.42 15.99 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.397 -0.814 . . . . 0.0 110.17 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -128.5 -78.96 0.24 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -146.57 84.18 1.61 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.397 -1.061 . . . . 0.0 110.199 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' SER . 9.6 mt-10 -119.86 43.72 2.59 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.337 -0.852 . . . . 0.0 110.474 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.631 ' O ' ' N ' ' A' ' 63' ' ' ASP . 1.6 m-20 -55.75 97.35 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' GLU . 5.4 p -50.92 79.28 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.733 0.778 . . . . 0.0 110.732 -177.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.631 ' N ' ' O ' ' A' ' 61' ' ' ASP . 34.7 t70 -56.25 -27.77 56.24 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.727 -0.608 . . . . 0.0 110.367 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -77.36 -32.07 54.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.184 -0.948 . . . . 0.0 109.27 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 62' ' ' SER . . . -62.14 -36.74 82.72 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 119.419 -0.913 . . . . 0.0 108.641 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 70' ' ' THR . 0.5 OUTLIER -69.2 -30.67 68.9 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.586 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -75.99 -43.0 46.47 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.591 -0.693 . . . . 0.0 109.596 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -74.92 -52.7 10.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.464 -0.773 . . . . 0.0 110.021 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.6 ttt -51.47 -37.54 49.4 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.378 -0.826 . . . . 0.0 110.648 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 66' ' ' LEU . 7.0 p -68.34 -45.63 72.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.284 -0.885 . . . . 0.0 110.405 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.5 tp -82.8 -12.07 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.233 -0.917 . . . . 0.0 110.33 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.88 -45.68 34.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.923 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.95 -25.29 34.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.35 -0.844 . . . . 0.0 110.191 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -82.31 -38.87 23.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.315 -0.866 . . . . 0.0 110.222 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.53 -42.7 67.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.33 -0.857 . . . . 0.0 110.122 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -60.7 89.08 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.389 -0.82 . . . . 0.0 110.297 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.48 -49.34 0.04 OUTLIER Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -90.11 -39.18 13.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.417 -1.049 . . . . 0.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 79' ' ' THR . 78.7 m 51.84 29.49 6.01 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.294 -0.879 . . . . 0.0 109.824 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' O ' HD23 ' A' ' 81' ' ' LEU . . . 99.58 -87.5 0.75 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 80' ' ' GLY . 75.1 mt -149.15 114.56 3.63 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.374 -1.074 . . . . 0.0 109.831 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.24 -5.52 17.31 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 O-C-N 123.566 1.298 . . . . 0.0 110.716 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.08 95.35 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.188 -0.945 . . . . 0.0 110.561 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 84' ' ' LEU . 4.2 mm? -86.68 -28.81 22.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.386 -0.821 . . . . 0.0 110.059 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.1 -13.7 62.41 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.365 -0.834 . . . . 0.0 110.492 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.11 29.33 2.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.2 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.442 ' SD ' HD13 ' A' ' 84' ' ' LEU . 39.4 mtt -113.02 131.39 55.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.373 -0.829 . . . . 0.0 110.11 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.446 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 69.3 p -65.26 -172.42 0.1 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.371 -0.831 . . . . 0.0 110.414 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 93' ' ' ILE . 4.1 mt-10 -63.9 -33.34 75.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.526 -0.734 . . . . 0.0 110.155 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 8.4 mm-40 -84.58 -31.69 24.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.459 -0.776 . . . . 0.0 110.224 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HB2' ' N ' ' A' ' 88' ' ' THR . 5.4 mt-10 -58.82 -61.9 2.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.225 -0.922 . . . . 0.0 109.602 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -59.32 -29.63 67.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.34 -0.85 . . . . 0.0 109.212 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.0 OUTLIER -70.94 -34.54 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.24 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 98' ' ' GLN . . . -62.4 -34.7 77.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.422 -0.799 . . . . 0.0 109.357 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -77.41 -44.01 30.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.556 -0.715 . . . . 0.0 109.958 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.13 81.12 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.498 -0.751 . . . . 0.0 110.255 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.7 mtp -77.19 -24.3 51.39 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.334 -0.854 . . . . 0.0 109.556 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 6.3 tt0 -67.15 -46.29 74.5 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.496 -0.752 . . . . 0.0 109.804 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 29.9 mtm -69.87 -32.53 70.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.396 -0.815 . . . . 0.0 109.987 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -26.72 53.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.337 -0.852 . . . . 0.0 110.126 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.93 65.88 1.11 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.356 -0.84 . . . . 0.0 110.252 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 57.24 96.4 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.341 -0.85 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.14 56.25 0.01 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 106' ' ' PHE . . . -104.29 82.34 1.93 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.375 -1.074 . . . . 0.0 110.225 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 106' ' ' PHE . 2.0 tt0 63.31 -75.0 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.39 -0.819 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 1.5 t80 73.22 -58.61 0.59 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.557 -0.714 . . . . 0.0 109.629 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 137.47 -167.77 24.65 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -89.57 50.55 1.93 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.373 -1.075 . . . . 0.0 110.256 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.05 49.14 1.59 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 110.178 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -109.42 -33.23 6.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.365 -0.834 . . . . 0.0 110.115 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.6 p -158.1 126.85 5.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 110.152 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.195 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.158 0.504 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 mtm -88.67 -179.99 6.13 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.378 -0.826 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.5 mm? -111.38 26.44 10.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.463 -0.773 . . . . 0.0 109.423 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.29 -33.51 6.5 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.739 -1.345 . . . . 0.0 109.739 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.84 82.54 1.67 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.283 -1.128 . . . . 0.0 110.357 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.2 105.63 0.85 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 52.4 28.85 6.21 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.297 -1.119 . . . . 0.0 110.489 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -131.51 14.21 4.98 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.314 -0.866 . . . . 0.0 110.471 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.31 -20.76 29.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.155 -0.966 . . . . 0.0 110.335 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -175.39 106.5 0.09 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.521 -0.737 . . . . 0.0 109.869 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -97.73 57.57 1.35 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.308 -0.87 . . . . 0.0 110.334 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -168.77 -54.07 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.412 -0.805 . . . . 0.0 110.095 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.27 62.83 0.73 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -105.35 -28.73 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.339 -1.095 . . . . 0.0 110.016 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.537 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -153.15 179.79 1.21 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 109.85 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.825 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 37.2 Cg_endo -61.67 78.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.577 1.304 . . . . 0.0 110.43 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' ASP . 1.0 OUTLIER 70.38 48.23 0.49 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.231 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.86 27.93 0.53 Allowed 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.712 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.499 ' CB ' HD12 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -164.08 117.47 1.02 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.256 -0.902 . . . . 0.0 110.472 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.33 -37.21 2.65 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 O-C-N 124.077 1.567 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.4 -42.85 99.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.37 -0.831 . . . . 0.0 109.873 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD12 ' CB ' ' A' ' 19' ' ' ASP . 1.1 mt -62.61 -32.08 73.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.366 -0.834 . . . . 0.0 110.017 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.825 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . . . -63.74 -58.09 7.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.417 -0.802 . . . . 0.0 110.057 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 28' ' ' VAL . 6.1 tp -60.96 -30.21 70.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.343 -0.848 . . . . 0.0 110.115 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.53 88.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.362 -0.836 . . . . 0.0 109.957 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.66 -23.67 66.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.395 -0.816 . . . . 0.0 110.083 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -78.6 -30.06 46.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.361 -0.837 . . . . 0.0 109.084 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 24' ' ' LEU . 87.2 t -70.95 -31.13 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.457 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -37.01 62.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.411 -0.806 . . . . 0.0 109.819 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.3 mtt -61.96 -46.02 91.09 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.496 -0.753 . . . . 0.0 109.845 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -61.52 -43.93 97.97 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.915 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -32.21 70.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.392 -0.817 . . . . 0.0 109.909 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.17 -41.46 94.62 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.378 -0.826 . . . . 0.0 109.843 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -47.81 84.35 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.373 -0.83 . . . . 0.0 109.762 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -56.9 -29.61 63.16 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.398 -0.814 . . . . 0.0 109.749 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -42.58 34.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.543 -0.723 . . . . 0.0 109.768 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.663 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 1.8 tm0? -64.5 -29.58 70.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.372 -0.83 . . . . 0.0 109.896 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -83.52 -56.38 3.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.441 -0.787 . . . . 0.0 109.539 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.06 -31.96 44.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.425 -0.797 . . . . 0.0 109.246 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -85.31 -33.51 22.08 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -65.0 -51.78 59.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.436 -0.79 . . . . 0.0 109.648 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.585 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 10.3 ptt180 -65.63 -31.83 73.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 109.57 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -53.61 -47.84 69.83 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.831 . . . . 0.0 109.262 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.75 -25.05 65.43 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.127 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 42' ' ' ARG . . . -67.89 -35.96 79.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.608 -0.682 . . . . 0.0 109.931 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.37 -41.35 14.56 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.432 -0.792 . . . . 0.0 110.045 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.27 69.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.345 -0.847 . . . . 0.0 110.066 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.9 t -84.41 -39.02 19.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.404 -0.81 . . . . 0.0 110.134 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.9 69.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.409 -0.807 . . . . 0.0 110.098 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' HD11 ' A' ' 54' ' ' ILE . . . -75.41 -8.45 56.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.392 -0.817 . . . . 0.0 110.543 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -104.84 -42.49 5.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.229 -0.919 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.18 27.86 7.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.371 -0.831 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.39 -29.37 4.51 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.517 ' H ' HD12 ' A' ' 54' ' ' ILE . 2.4 mp -77.89 -54.45 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.221 -1.164 . . . . 0.0 109.864 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.95 -175.18 4.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.475 -0.766 . . . . 0.0 110.189 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.2 p -141.35 52.84 1.55 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.154 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -130.98 152.37 50.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.366 -0.834 . . . . 0.0 110.17 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -132.72 83.33 0.3 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.8 m -72.32 65.74 0.63 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.392 -1.064 . . . . 0.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.28 59.47 4.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -0.863 . . . . 0.0 110.13 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.07 -43.12 8.66 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.439 -0.788 . . . . 0.0 110.162 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.565 ' HB3' ' HB3' ' A' ' 65' ' ' ALA . 0.6 OUTLIER -107.26 75.87 1.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.388 -0.82 . . . . 0.0 110.122 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -76.98 -48.94 16.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.401 -0.812 . . . . 0.0 110.286 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.7 -28.45 60.81 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.266 -0.896 . . . . 0.0 109.176 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.565 ' HB3' ' HB3' ' A' ' 62' ' ' SER . . . -62.2 -44.81 95.75 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.566 -0.854 . . . . 0.0 108.796 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -28.36 69.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 67' ' ' LEU . 5.9 tp -75.03 -47.72 27.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.413 -0.804 . . . . 0.0 109.874 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -79.45 -51.52 9.25 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.399 -0.813 . . . . 0.0 110.678 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.9 tpt -54.01 -37.84 64.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.147 -0.971 . . . . 0.0 110.776 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.2 m -72.73 -41.39 65.22 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.203 -0.935 . . . . 0.0 110.65 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 71' ' ' ILE . 5.3 tp -81.36 -18.8 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.127 -0.983 . . . . 0.0 110.056 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.2 m -73.82 -37.31 64.9 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.36 -0.837 . . . . 0.0 109.427 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.65 -25.69 38.13 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.487 -0.758 . . . . 0.0 109.948 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.75 -42.48 11.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.418 -0.801 . . . . 0.0 110.238 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.7 -37.97 87.92 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.371 -0.831 . . . . 0.0 110.145 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.54 85.68 6.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.377 -0.827 . . . . 0.0 110.164 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.81 -43.57 0.33 Allowed Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.81 111.5 5.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.441 -1.035 . . . . 0.0 110.107 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -132.3 63.75 1.62 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.418 -0.801 . . . . 0.0 110.291 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.3 39.36 2.87 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 pp -167.17 118.14 0.73 Allowed Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.342 -1.093 . . . . 0.0 110.273 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.94 113.21 3.71 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.539 1.284 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -121.74 81.83 1.87 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.409 -0.807 . . . . 0.0 110.208 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.2 mt -70.71 -31.32 68.14 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.337 -0.852 . . . . 0.0 110.238 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.3 t -60.11 -28.75 68.11 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.327 -0.858 . . . . 0.0 110.25 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.2 m -103.52 46.39 0.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.334 -0.853 . . . . 0.0 110.226 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 mtt -135.93 122.12 20.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.352 -0.843 . . . . 0.0 110.214 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.45 ' N ' ' HB2' ' A' ' 91' ' ' GLU . 64.0 p -66.13 -173.17 0.17 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.393 -0.817 . . . . 0.0 110.268 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 93' ' ' ILE . 6.4 mt-10 -61.2 -33.52 73.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.479 -0.763 . . . . 0.0 110.204 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 37.9 mt-10 -82.57 -33.55 28.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.41 -0.807 . . . . 0.0 110.371 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.45 ' HB2' ' N ' ' A' ' 88' ' ' THR . 28.1 mm-40 -57.29 -62.12 2.0 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.24 -0.912 . . . . 0.0 109.844 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -59.34 -29.11 67.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.286 -0.884 . . . . 0.0 109.29 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 89' ' ' GLU . 1.1 mt -71.8 -33.53 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.577 -0.702 . . . . 0.0 109.223 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.17 -28.6 69.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.378 -0.826 . . . . 0.0 109.439 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.58 -40.48 16.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.478 -0.764 . . . . 0.0 110.179 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.12 -27.77 48.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.36 -0.838 . . . . 0.0 110.349 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.2 ttm -83.09 -27.74 30.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.88 . . . . 0.0 109.732 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -75.54 -34.91 60.79 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.437 -0.789 . . . . 0.0 109.986 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.7 mmm -80.1 -28.43 39.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.426 -0.796 . . . . 0.0 110.004 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.8 t -76.18 -28.38 57.27 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.365 -0.834 . . . . 0.0 110.038 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -96.72 26.45 4.51 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.343 -0.848 . . . . 0.0 110.114 179.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -86.22 -25.38 25.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.349 -0.844 . . . . 0.0 110.211 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.84 96.72 0.33 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.86 74.78 1.46 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.335 -1.097 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -127.6 29.23 5.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -0.874 . . . . 0.0 110.114 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -113.63 -63.4 1.45 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.375 -0.828 . . . . 0.0 110.211 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.04 94.15 0.09 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -125.61 73.18 1.31 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -1.07 . . . . 0.0 110.224 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -151.15 62.87 0.9 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.339 -0.851 . . . . 0.0 110.205 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -107.2 -44.48 4.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 110.145 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.96 -44.9 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.452 -0.78 . . . . 0.0 110.238 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.173 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.183 0.516 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.585 ' C ' HD12 ' A' ' 3' ' ' LEU . 0.4 OUTLIER 53.78 178.23 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.374 -0.829 . . . . 0.0 110.556 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 2' ' ' MET . 10.7 mp -113.13 24.7 12.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.57 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.22 68.64 3.48 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mp 52.55 78.61 0.13 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.321 -1.105 . . . . 0.0 110.327 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.4 47.32 0.68 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 52.67 27.02 4.82 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.283 -1.128 . . . . 0.0 110.486 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -111.13 -27.54 8.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.845 . . . . 0.0 110.106 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -22.04 64.86 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.844 . . . . 0.0 110.275 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 31.6 p90 -156.84 118.56 3.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.322 -0.861 . . . . 0.0 110.145 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -135.76 53.74 1.94 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.339 -0.85 . . . . 0.0 110.222 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 53.6 23.62 3.69 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.431 -0.793 . . . . 0.0 110.554 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.96 5.64 6.09 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.15 -31.21 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.189 -1.183 . . . . 0.0 110.384 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.78 170.37 8.6 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.233 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.03 -18.13 31.3 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 O-C-N 123.827 1.436 . . . . 0.0 110.397 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -21.42 66.73 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.318 -0.864 . . . . 0.0 110.289 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.25 -35.55 37.66 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.185 -0.947 . . . . 0.0 110.429 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -169.37 119.93 0.6 Allowed Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.358 -0.839 . . . . 0.0 110.075 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -75.22 -35.06 3.2 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 O-C-N 123.958 1.504 . . . . 0.0 110.394 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -32.96 74.75 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.359 -0.838 . . . . 0.0 110.159 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -27.75 43.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.503 -0.748 . . . . 0.0 110.203 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.66 -46.69 65.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.795 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -68.85 -40.01 79.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.294 -0.879 . . . . 0.0 110.125 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.59 71.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.305 -0.872 . . . . 0.0 110.177 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -21.63 66.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.286 -0.884 . . . . 0.0 110.165 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -32.81 39.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.355 -0.841 . . . . 0.0 109.078 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 24' ' ' LEU . 86.4 t -69.28 -31.54 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.522 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -40.44 61.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.454 -0.779 . . . . 0.0 109.883 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mtp -61.7 -44.43 96.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.422 -0.799 . . . . 0.0 109.977 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.72 -38.91 89.65 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.394 -0.816 . . . . 0.0 109.939 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.56 -36.07 79.58 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.374 -0.829 . . . . 0.0 109.996 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -38.28 89.96 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.366 -0.834 . . . . 0.0 109.852 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -40.23 96.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.394 -0.816 . . . . 0.0 109.963 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.94 -40.12 92.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.43 -0.794 . . . . 0.0 110.048 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -44.61 66.74 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.451 -0.781 . . . . 0.0 109.903 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.604 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -66.97 -24.33 66.04 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.385 -0.822 . . . . 0.0 110.015 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -83.83 -54.42 4.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.42 -0.8 . . . . 0.0 109.57 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -52.88 -34.25 53.86 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.306 -0.871 . . . . 0.0 109.017 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.01 -34.66 24.26 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.752 -0.592 . . . . 0.0 109.412 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -68.61 -56.43 8.25 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.345 -0.847 . . . . 0.0 109.85 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -59.05 -35.99 74.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.424 -0.797 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -57.61 -49.78 75.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.264 -0.897 . . . . 0.0 109.966 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.15 -27.81 66.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.349 -0.844 . . . . 0.0 109.946 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.75 83.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.392 -0.817 . . . . 0.0 110.032 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.0 68.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.353 -0.842 . . . . 0.0 110.062 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.31 -33.9 61.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.417 -0.802 . . . . 0.0 110.058 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -68.61 -33.25 73.72 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.329 -0.857 . . . . 0.0 110.095 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.74 -32.71 41.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.152 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.44 -10.94 47.46 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.426 -0.796 . . . . 0.0 110.477 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 24.3 tt0 -111.49 -51.29 2.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.285 -0.884 . . . . 0.0 110.248 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.0 24.8 10.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 110.383 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.93 -55.29 1.77 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.605 ' N ' HD12 ' A' ' 54' ' ' ILE . 4.9 mp -126.97 24.35 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.312 -1.111 . . . . 0.0 110.034 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 51' ' ' GLU . . . -71.74 152.98 42.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.334 -0.854 . . . . 0.0 110.193 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 m -108.68 58.58 0.61 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.354 -0.842 . . . . 0.0 110.187 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.8 p -102.16 -169.5 1.68 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.371 -0.831 . . . . 0.0 110.186 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.87 -64.22 0.02 OUTLIER Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 m -119.48 71.82 0.89 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.36 -1.082 . . . . 0.0 110.167 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -128.67 45.27 2.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.351 -0.843 . . . . 0.0 110.213 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -91.02 -25.79 19.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.397 -0.814 . . . . 0.0 110.219 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.835 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 3.7 p -117.93 79.44 1.36 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.323 -0.86 . . . . 0.0 110.193 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -76.62 -57.14 4.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.328 -0.858 . . . . 0.0 110.173 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -75.05 -29.0 60.61 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.242 -0.911 . . . . 0.0 109.152 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.835 ' HB3' ' HB2' ' A' ' 62' ' ' SER . . . -62.47 -35.75 80.3 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 119.554 -0.858 . . . . 0.0 108.795 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -31.58 67.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 tt -75.55 -38.05 59.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.478 -0.764 . . . . 0.0 109.508 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -80.57 -53.16 6.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.526 -0.734 . . . . 0.0 110.287 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.4 mmt -55.24 -41.08 71.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.132 -0.98 . . . . 0.0 110.467 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.1 m -66.0 -45.72 80.56 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.288 -0.882 . . . . 0.0 110.37 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 71' ' ' ILE . 6.3 tp -80.93 -15.14 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.198 -0.939 . . . . 0.0 110.178 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' LYS . 40.8 t -72.2 -35.3 68.89 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.377 -0.827 . . . . 0.0 109.704 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -88.4 -25.03 22.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.447 -0.783 . . . . 0.0 110.049 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -87.28 -29.61 21.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -88.08 -31.69 19.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.309 -0.869 . . . . 0.0 110.453 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.01 94.81 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.322 -0.861 . . . . 0.0 110.288 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.87 63.09 0.63 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 53.58 95.69 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.386 -1.067 . . . . 0.0 110.256 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.91 32.13 4.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.431 -0.793 . . . . 0.0 110.34 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -96.36 19.46 54.48 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.94 104.79 0.32 Allowed Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.258 -1.143 . . . . 0.0 110.116 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.52 110.13 2.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.523 1.275 . . . . 0.0 110.48 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -121.73 28.16 7.79 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 0.0 110.208 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.38 -78.67 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.553 -0.717 . . . . 0.0 110.714 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -68.67 -12.56 61.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.238 -0.913 . . . . 0.0 110.605 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.0 t -73.23 -22.94 60.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.131 -0.98 . . . . 0.0 110.534 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.416 ' HB2' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -109.21 -162.81 0.83 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.294 -0.879 . . . . 0.0 110.474 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.3 p -96.65 170.04 9.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.277 -0.889 . . . . 0.0 110.484 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.17 -36.9 76.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.405 -0.81 . . . . 0.0 109.999 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.478 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 6.0 mt-10 -71.13 -35.95 71.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 109.795 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 87' ' ' MET . 4.9 mm-40 -56.7 -57.51 12.1 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.298 -0.876 . . . . 0.0 109.676 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' HG3' ' CG ' ' A' ' 87' ' ' MET . 56.4 mt-30 -60.53 -32.92 71.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.337 -0.852 . . . . 0.0 109.055 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.478 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -65.19 -40.79 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.795 -0.566 . . . . 0.0 109.512 179.474 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.5 -23.36 67.25 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.27 -0.894 . . . . 0.0 109.733 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -86.34 -36.3 19.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.396 -0.815 . . . . 0.0 110.174 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.99 -31.79 27.34 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.344 -0.848 . . . . 0.0 110.377 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 27.7 mtt -81.13 -28.4 35.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.742 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -77.97 -43.13 30.6 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.899 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.6 tpp -66.48 -30.45 70.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.424 -0.797 . . . . 0.0 109.855 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 t -81.35 -20.32 40.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.417 -0.802 . . . . 0.0 110.284 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.97 60.15 2.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.277 -0.889 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -158.17 -72.18 0.09 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.237 -0.914 . . . . 0.0 110.163 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.03 37.31 0.08 OUTLIER Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -112.77 81.88 1.56 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -1.088 . . . . 0.0 110.129 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -130.57 88.73 2.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.847 . . . . 0.0 110.209 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -78.02 -51.9 9.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.325 -0.859 . . . . 0.0 110.26 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.75 58.88 5.97 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -93.37 62.97 3.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.361 -1.082 . . . . 0.0 110.232 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.17 -63.59 1.43 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.365 -0.835 . . . . 0.0 110.202 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.31 -37.06 80.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.38 -0.825 . . . . 0.0 110.186 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.6 m -115.69 163.64 15.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.317 -0.864 . . . . 0.0 110.241 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.2 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.197 0.522 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -168.71 -168.82 0.93 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.337 -0.852 . . . . 0.0 110.053 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 mt -109.21 22.02 16.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.442 -0.786 . . . . 0.0 109.396 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.27 49.67 0.88 Allowed Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.69 62.72 1.08 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.316 -1.108 . . . . 0.0 110.229 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.05 77.99 0.1 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.31 -71.89 0.14 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -1.052 . . . . 0.0 110.173 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.66 -25.08 26.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.397 -0.814 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.52 -39.76 92.18 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.332 -0.855 . . . . 0.0 110.176 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.27 79.87 3.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.347 -0.846 . . . . 0.0 110.204 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.5 78.18 8.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.346 -0.846 . . . . 0.0 110.093 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -152.45 -51.34 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.307 -0.87 . . . . 0.0 110.105 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.77 30.02 7.75 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 15' ' ' ASP . 35.2 m -128.8 -38.16 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.313 -1.11 . . . . 0.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 14' ' ' VAL . 2.2 m-20 -129.44 142.8 46.49 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.323 -0.861 . . . . 0.0 110.134 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -70.43 -15.23 34.56 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 O-C-N 123.671 1.353 . . . . 0.0 110.695 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -63.45 -16.84 61.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.273 -0.892 . . . . 0.0 110.303 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.24 75.82 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.165 -0.959 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.42 120.46 0.61 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.103 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -74.76 -34.98 3.69 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 O-C-N 123.974 1.513 . . . . 0.0 110.515 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.44 -38.82 88.58 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.293 -0.88 . . . . 0.0 110.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -73.24 -30.23 63.32 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.403 -0.811 . . . . 0.0 110.06 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.64 -55.06 26.45 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.35 -0.844 . . . . 0.0 109.984 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.868 ' O ' HG23 ' A' ' 28' ' ' VAL . 26.2 tp -63.96 -34.67 78.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.338 -0.851 . . . . 0.0 110.026 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -49.58 76.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.356 -0.84 . . . . 0.0 110.159 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.866 HD13 ' O ' ' A' ' 26' ' ' LEU . 2.0 tm? -62.81 -26.29 68.67 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.824 . . . . 0.0 109.841 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -82.34 -25.23 34.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.29 -0.881 . . . . 0.0 109.786 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 24' ' ' LEU . 67.8 t -77.65 -39.48 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.427 -0.796 . . . . 0.0 109.784 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -70.51 -43.13 70.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.371 -0.831 . . . . 0.0 109.877 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.45 -37.55 86.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.388 -0.82 . . . . 0.0 109.976 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -38.47 91.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.447 -0.783 . . . . 0.0 109.966 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.06 -40.78 96.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 109.985 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -38.52 88.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.274 -0.891 . . . . 0.0 110.0 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -35.33 74.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.298 -0.876 . . . . 0.0 109.813 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -59.19 -37.17 76.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.373 -0.83 . . . . 0.0 109.986 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -72.86 -37.99 67.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.41 -0.807 . . . . 0.0 109.969 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.579 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 8.6 mt-30 -72.22 -19.42 61.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.398 -0.814 . . . . 0.0 110.179 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -83.68 -56.04 3.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.575 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -53.97 -31.89 52.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.358 -0.839 . . . . 0.0 109.09 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.49 -35.73 22.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.637 -0.664 . . . . 0.0 109.493 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 37' ' ' GLN . . . -69.69 -55.34 10.23 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.329 -0.857 . . . . 0.0 109.932 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -59.66 -35.38 74.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.561 -0.712 . . . . 0.0 110.1 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -58.27 -48.01 81.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.373 -0.83 . . . . 0.0 110.145 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.12 -29.25 54.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.393 -0.817 . . . . 0.0 109.982 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.18 -31.08 70.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.346 -0.846 . . . . 0.0 110.093 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.64 -38.2 29.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.422 -0.799 . . . . 0.0 110.087 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.91 -29.3 68.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.205 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.41 -37.1 17.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.361 -0.837 . . . . 0.0 110.225 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.98 -24.86 67.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.37 -0.831 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.03 17.34 23.17 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.37 -30.77 12.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.298 -0.876 . . . . 0.0 110.008 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.89 18.16 1.97 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.382 -0.824 . . . . 0.0 110.274 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' C ' HG23 ' A' ' 54' ' ' ILE . . . -111.23 -47.7 0.74 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.614 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 12.4 pt -148.64 -126.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -1.093 . . . . 0.0 110.001 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . 67.26 -70.0 0.12 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.078 -1.014 . . . . 0.0 110.387 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.0 p -66.94 79.79 0.12 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.323 -0.86 . . . . 0.0 110.195 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.6 p -141.66 -179.72 6.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.278 -0.889 . . . . 0.0 110.231 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -133.63 41.16 1.5 Allowed Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 59' ' ' THR . 9.5 t -87.32 65.28 8.67 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.379 -1.071 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -106.92 43.55 1.15 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 0.0 110.159 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -91.6 -32.97 15.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.363 -0.835 . . . . 0.0 110.171 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.2 m -117.48 86.24 2.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.357 -0.839 . . . . 0.0 110.169 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.11 -31.24 68.74 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.396 -0.815 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -76.18 -28.43 57.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.256 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.12 99.31 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 119.489 -0.885 . . . . 0.0 108.765 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 70' ' ' THR . 0.1 OUTLIER -66.62 -31.04 71.48 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.568 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.31 -42.25 59.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.67 -0.644 . . . . 0.0 109.833 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -52.96 8.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.439 -0.788 . . . . 0.0 110.154 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.3 ttt -49.71 -38.26 32.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.304 -0.873 . . . . 0.0 110.57 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 66' ' ' LEU . 18.0 p -70.67 -42.31 70.92 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.38 -0.825 . . . . 0.0 110.546 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -83.3 -12.92 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.244 -0.91 . . . . 0.0 110.404 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -77.21 -47.45 20.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.325 -0.859 . . . . 0.0 109.845 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -78.9 -24.02 44.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.454 -0.779 . . . . 0.0 110.056 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -83.92 -48.34 10.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.334 -0.854 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -61.7 -43.33 99.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.308 -0.87 . . . . 0.0 110.166 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -96.03 87.01 4.44 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.397 -0.814 . . . . 0.0 110.166 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.21 -53.85 0.32 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.81 107.51 5.27 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.379 -1.071 . . . . 0.0 110.185 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 m -153.08 -40.28 0.1 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.383 -0.823 . . . . 0.0 110.366 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.57 -28.01 28.22 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.79 93.15 9.67 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.333 -1.098 . . . . 0.0 110.134 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -72.09 122.06 8.09 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 O-C-N 123.786 1.413 . . . . 0.0 110.357 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.94 120.59 21.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.298 -0.876 . . . . 0.0 110.167 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.2 mt -78.2 -30.05 48.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.335 -0.853 . . . . 0.0 110.144 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -27.06 67.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.358 -0.838 . . . . 0.0 110.224 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.3 t -97.76 34.99 1.76 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.38 -0.825 . . . . 0.0 110.273 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.8 mtt -124.12 136.46 54.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.358 -0.839 . . . . 0.0 110.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.4 p -71.14 173.29 7.83 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.37 -0.832 . . . . 0.0 110.225 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -58.3 -34.41 70.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.406 -0.809 . . . . 0.0 110.249 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.443 ' HA ' ' HB ' ' A' ' 93' ' ' ILE . 35.5 mt-10 -80.81 -33.14 34.96 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.384 -0.823 . . . . 0.0 110.086 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.51 -62.09 1.97 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.243 -0.91 . . . . 0.0 109.908 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -60.2 -29.41 68.71 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.291 -0.88 . . . . 0.0 109.421 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -65.36 -46.83 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.578 -0.701 . . . . 0.0 109.436 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.43 ' N ' HG22 ' A' ' 93' ' ' ILE . . . -56.76 -37.68 71.4 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.44 -0.787 . . . . 0.0 109.625 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -82.46 -27.74 31.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.484 -0.76 . . . . 0.0 109.851 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.38 -38.44 63.16 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.449 -0.782 . . . . 0.0 110.144 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.9 mtt -80.34 -22.29 41.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.8 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -44.61 37.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.436 -0.79 . . . . 0.0 110.037 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.9 mmm -70.07 -31.9 69.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.354 -0.841 . . . . 0.0 109.993 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 m -66.47 -49.75 65.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.45 -0.782 . . . . 0.0 110.215 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.22 -19.41 61.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.406 -0.809 . . . . 0.0 110.486 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -57.67 -62.61 1.67 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.241 -0.912 . . . . 0.0 110.328 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.97 137.36 3.42 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -165.04 98.34 0.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.333 -1.098 . . . . 0.0 110.18 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -119.25 71.65 0.87 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.394 -0.816 . . . . 0.0 110.201 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -140.11 105.34 5.03 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.3 -0.875 . . . . 0.0 110.214 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.6 39.92 0.11 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.34 103.37 3.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -1.091 . . . . 0.0 110.172 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.0 30.93 6.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.426 -0.796 . . . . 0.0 110.169 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.65 -31.53 59.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 0.0 110.113 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 p -151.99 -176.53 5.69 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.362 -0.836 . . . . 0.0 110.208 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.164 -179.99 . . . . . . . . 0 0 . 1 stop_ save_