data_1j3x_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 1j3x _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.138 0.494 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.19 -159.46 0.72 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.53 -0.731 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.7 t -161.86 177.86 9.46 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.579 -0.701 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.1 p -77.31 -28.87 53.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.64 -0.662 . . . . 0.0 110.132 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.63 -29.99 70.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.627 -0.67 . . . . 0.0 110.113 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.87 -38.16 46.58 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.59 -0.693 . . . . 0.0 110.021 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.51 -28.46 67.85 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.606 -0.684 . . . . 0.0 110.116 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.94 -53.33 58.57 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.559 -0.713 . . . . 0.0 110.057 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.7 -29.54 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.607 -0.683 . . . . 0.0 109.765 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -72.42 -35.3 68.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.558 -0.713 . . . . 0.0 109.952 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 m -85.23 -32.28 22.71 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.613 -0.679 . . . . 0.0 110.082 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.9 m -75.01 -30.49 61.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.604 -0.685 . . . . 0.0 109.992 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -35.69 63.58 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.621 -0.674 . . . . 0.0 109.985 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.92 -27.19 68.0 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.569 -0.707 . . . . 0.0 110.163 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -95.18 24.2 5.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.52 -0.738 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 27.4 t60 -105.04 -43.73 4.97 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.42 -0.8 . . . . 0.0 110.106 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -58.54 -25.14 62.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -59.1 -27.08 65.24 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.478 -0.764 . . . . 0.0 110.445 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -138.23 23.71 2.76 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.57 -0.706 . . . . 0.0 110.68 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.421 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 83.6 m-70 -146.15 68.61 12.63 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.432 -0.792 . . . . 0.0 109.984 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.77 -44.93 0.57 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.295 1.155 . . . . 0.0 110.401 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -107.38 65.29 0.65 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.637 -0.665 . . . . 0.0 110.217 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 m -148.58 130.69 15.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.601 -0.687 . . . . 0.0 110.241 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.0 p -89.41 102.52 15.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.505 -0.747 . . . . 0.0 110.094 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -106.21 74.81 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.582 -0.699 . . . . 0.0 110.338 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -58.92 -176.06 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.508 -0.745 . . . . 0.0 109.925 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -72.92 -45.3 58.92 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.434 -0.791 . . . . 0.0 110.188 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.13 -40.91 71.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.281 -0.887 . . . . 0.0 110.585 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.82 -16.69 59.33 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.04 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -113.71 -45.95 3.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.33 -0.856 . . . . 0.0 110.799 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.4 p -56.15 -23.84 37.3 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.498 -0.751 . . . . 0.0 110.196 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -72.46 -34.77 67.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.555 -0.715 . . . . 0.0 109.626 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -82.77 -41.81 18.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.653 -0.654 . . . . 0.0 110.061 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 44.0 m -61.68 -29.48 70.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.513 -0.742 . . . . 0.0 109.959 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.2 p -67.77 -32.82 73.67 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.516 -0.74 . . . . 0.0 109.805 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.49 -32.3 73.03 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.613 -0.679 . . . . 0.0 109.858 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -43.27 12.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.574 -0.704 . . . . 0.0 109.762 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -61.61 -36.79 81.74 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.633 -0.667 . . . . 0.0 109.857 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -71.72 -28.67 63.84 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.617 -0.677 . . . . 0.0 110.145 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.4 p -93.98 -20.09 20.3 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.554 -0.716 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.3 mmm -56.16 155.05 7.03 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.351 -0.843 . . . . 0.0 110.494 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.3 p -103.75 -178.5 3.68 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.665 -0.647 . . . . 0.0 110.299 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.92 -22.13 63.22 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.53 -0.731 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -68.23 -30.52 69.6 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.376 -0.827 . . . . 0.0 109.798 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -100.17 -43.65 6.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.644 -0.66 . . . . 0.0 109.934 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -62.4 -23.05 66.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.667 -0.646 . . . . 0.0 110.313 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.4 p -60.16 -30.05 69.07 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.432 -0.792 . . . . 0.0 110.4 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -66.76 -28.96 68.82 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.493 -0.754 . . . . 0.0 110.245 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -92.84 -28.58 16.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.71 . . . . 0.0 110.305 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.05 -28.59 62.41 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.523 -0.736 . . . . 0.0 110.257 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.49 -28.34 46.38 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.593 -0.692 . . . . 0.0 110.253 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.2 mmt -82.19 -28.36 32.07 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.58 -0.7 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.37 -41.76 46.93 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.617 -0.677 . . . . 0.0 110.18 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -68.47 -28.55 67.14 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.608 -0.682 . . . . 0.0 110.207 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.6 t -61.01 -38.75 87.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.549 -0.719 . . . . 0.0 110.125 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -90.59 -29.1 18.02 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.587 -0.695 . . . . 0.0 110.162 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -63.6 -34.2 77.29 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.528 -0.732 . . . . 0.0 110.17 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.54 -28.65 41.28 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.578 -0.701 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.26 -28.45 69.72 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.558 -0.714 . . . . 0.0 110.225 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.0 t80 . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.505 -0.747 . . . . 0.0 110.188 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? . . . . . 0 N--CA 1.501 2.119 0 CA-C-O 121.056 0.455 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.8 mtp -129.36 -169.58 2.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.602 -0.686 . . . . 0.0 110.254 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t -155.25 168.3 27.5 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.571 -0.705 . . . . 0.0 110.164 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.1 p -70.27 -28.27 65.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.599 -0.688 . . . . 0.0 110.183 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.26 -28.98 62.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.698 . . . . 0.0 110.194 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.6 -38.67 39.42 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.552 -0.718 . . . . 0.0 110.12 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.08 -29.42 66.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.549 -0.719 . . . . 0.0 110.005 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.81 -57.63 11.11 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.59 -0.694 . . . . 0.0 110.049 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.3 t -66.51 -30.05 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.618 -0.677 . . . . 0.0 109.847 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -69.35 -32.24 71.18 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.555 -0.716 . . . . 0.0 110.143 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.4 m -93.93 -28.73 15.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.668 -0.645 . . . . 0.0 110.155 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.6 m -79.76 -27.4 40.47 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.56 -0.713 . . . . 0.0 110.396 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -40.83 72.63 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.529 -0.732 . . . . 0.0 110.012 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.93 -42.43 81.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.616 -0.678 . . . . 0.0 110.002 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.47 -23.49 64.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.636 -0.665 . . . . 0.0 110.372 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -77.79 -47.42 18.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.502 -0.749 . . . . 0.0 110.218 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -62.38 -28.9 70.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.549 -0.719 . . . . 0.0 110.28 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -61.17 -20.95 63.33 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.588 -0.695 . . . . 0.0 110.779 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -133.6 21.24 3.93 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.349 -0.844 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -145.63 64.53 10.52 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.449 -0.782 . . . . 0.0 110.143 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -73.7 -29.89 10.17 Favored 'Trans proline' 0 C--N 1.317 -1.084 0 O-C-N 123.275 1.145 . . . . 0.0 110.427 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -83.54 -28.33 28.68 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.569 -0.707 . . . . 0.0 110.377 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -93.64 -169.74 2.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.489 -0.757 . . . . 0.0 110.291 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -143.44 -177.92 5.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.644 -0.66 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 p -167.77 103.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.604 -0.685 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -81.25 -164.93 0.83 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.448 -0.783 . . . . 0.0 109.389 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -84.36 -51.51 6.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.319 -0.863 . . . . 0.0 109.975 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.87 75.52 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.325 -0.86 . . . . 0.0 110.729 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.74 -16.71 58.85 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.17 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -114.48 -45.29 3.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.882 . . . . 0.0 110.809 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -56.06 -23.4 33.32 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.467 -0.771 . . . . 0.0 110.079 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -74.35 -30.66 62.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.538 -0.726 . . . . 0.0 109.623 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -89.55 -32.86 16.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.668 -0.645 . . . . 0.0 110.124 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.2 m -61.33 -29.39 69.86 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.476 -0.765 . . . . 0.0 110.007 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.0 p -65.54 -34.79 79.08 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.564 -0.71 . . . . 0.0 109.865 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -63.41 -29.26 70.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.633 -0.667 . . . . 0.0 109.955 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -94.58 -32.75 13.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.518 -0.738 . . . . 0.0 110.086 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -67.75 -41.46 83.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.629 -0.67 . . . . 0.0 110.169 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -76.5 -26.49 55.33 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.492 -0.755 . . . . 0.0 110.544 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.1 p -91.46 -22.58 20.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.487 -0.758 . . . . 0.0 110.629 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.6 mtp -58.07 168.42 1.01 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.334 -0.854 . . . . 0.0 110.403 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.0 m -106.94 -176.77 3.17 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.575 -0.703 . . . . 0.0 110.355 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.28 61.95 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.691 -0.631 . . . . 0.0 110.678 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.79 -30.45 69.89 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.357 -0.839 . . . . 0.0 109.793 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.59 -42.07 7.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.763 -0.586 . . . . 0.0 109.808 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -65.4 -21.37 66.66 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.703 -0.623 . . . . 0.0 110.48 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 p -69.54 -30.93 68.86 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.325 -0.859 . . . . 0.0 110.342 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -67.57 -28.86 68.13 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.495 -0.753 . . . . 0.0 110.21 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -89.96 -28.45 19.13 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.657 -0.652 . . . . 0.0 110.378 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -75.02 -28.29 60.42 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.574 -0.704 . . . . 0.0 110.323 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.34 -28.04 52.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.551 -0.718 . . . . 0.0 110.336 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.6 mmt -76.23 -29.69 57.65 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.706 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.65 -35.21 27.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.626 -0.671 . . . . 0.0 110.195 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -69.62 -28.88 66.29 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.595 -0.691 . . . . 0.0 110.213 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 t -62.5 -43.55 98.54 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.581 -0.699 . . . . 0.0 110.09 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.44 -29.26 41.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.626 -0.671 . . . . 0.0 110.217 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -62.31 -28.17 69.55 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.598 -0.689 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.87 -28.48 32.95 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.593 -0.692 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -68.84 -28.76 67.02 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.479 -0.763 . . . . 0.0 110.219 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.0 t80 . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.576 -0.703 . . . . 0.0 110.174 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 121.055 0.455 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.13 -168.98 2.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.536 -0.727 . . . . 0.0 110.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -150.79 168.73 23.54 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.633 -0.667 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.6 p -70.07 -28.18 65.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.571 -0.706 . . . . 0.0 110.226 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.31 -29.17 64.71 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.525 -0.735 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.9 -37.67 39.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.578 -0.701 . . . . 0.0 110.135 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.96 -28.61 63.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.568 -0.707 . . . . 0.0 110.094 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 49' ' ' TRP . 49.8 t80 -61.6 -52.13 65.67 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.593 -0.692 . . . . 0.0 110.179 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.9 t -64.04 -28.38 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.575 -0.703 . . . . 0.0 110.01 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -74.28 -51.61 14.77 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.544 -0.723 . . . . 0.0 110.2 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -62.51 -28.6 69.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.499 -0.751 . . . . 0.0 110.144 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 m -80.6 -28.86 36.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.543 -0.723 . . . . 0.0 110.17 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -49.94 72.71 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.586 -0.696 . . . . 0.0 110.1 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.37 -38.61 87.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.613 -0.679 . . . . 0.0 110.064 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -70.85 -14.42 62.39 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.633 -0.667 . . . . 0.0 110.782 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.438 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 39.9 t60 -94.18 24.0 4.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.337 -0.852 . . . . 0.0 110.519 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -118.2 -36.11 3.66 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.29 -0.882 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -69.55 -37.06 76.89 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.629 -0.669 . . . . 0.0 110.23 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 24.9 pttt -96.22 14.62 23.49 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.561 -0.712 . . . . 0.0 111.003 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CD2' ' CE1' ' A' ' 27' ' ' HIS . 55.2 m-70 -144.48 89.15 6.95 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.257 -0.902 . . . . 0.0 109.946 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.51 -32.02 10.36 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 O-C-N 123.375 1.197 . . . . 0.0 110.679 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -144.82 83.66 1.71 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.523 -0.735 . . . . 0.0 110.305 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t -154.2 130.64 10.56 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.571 -0.705 . . . . 0.0 110.129 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -76.88 151.58 35.75 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.548 -0.72 . . . . 0.0 109.965 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.9 p -162.95 71.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.616 -0.677 . . . . 0.0 110.42 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -59.49 -168.5 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -78.53 -40.74 34.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.418 -0.801 . . . . 0.0 110.137 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.45 -45.93 57.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.262 -0.899 . . . . 0.0 110.506 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -60.98 -17.84 54.05 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.911 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -107.79 -48.26 3.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.318 -0.864 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.6 p -53.45 -24.72 13.61 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.41 -0.806 . . . . 0.0 110.333 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -30.78 69.64 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.518 -0.739 . . . . 0.0 109.448 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.19 -44.19 11.66 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.662 -0.649 . . . . 0.0 110.184 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.76 -28.62 68.86 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.549 -0.719 . . . . 0.0 110.04 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.3 p -70.31 -36.13 74.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.549 -0.719 . . . . 0.0 109.757 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.13 -34.49 73.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.575 -0.703 . . . . 0.0 109.716 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -81.39 -46.29 14.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.739 -0.6 . . . . 0.0 109.932 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.411 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 74.8 t-105 -61.39 -31.0 70.9 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.628 -0.67 . . . . 0.0 109.919 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -77.74 -28.39 50.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.602 -0.686 . . . . 0.0 110.134 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.7 p -96.91 -15.71 21.04 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.611 -0.68 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.1 mmm -56.02 160.49 2.78 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.225 -0.922 . . . . 0.0 110.604 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t -110.33 -178.28 3.46 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.538 -0.727 . . . . 0.0 110.345 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.3 -18.57 63.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.721 -0.612 . . . . 0.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -70.68 -29.74 66.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.306 -0.872 . . . . 0.0 109.955 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -102.62 -43.3 5.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.63 -0.669 . . . . 0.0 110.025 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -62.17 -23.34 66.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.666 -0.646 . . . . 0.0 110.402 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 p -59.68 -28.7 67.51 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.343 -0.848 . . . . 0.0 110.376 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -77.29 -29.02 53.58 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.525 -0.735 . . . . 0.0 110.183 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -89.19 -28.17 20.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.508 -0.745 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -75.23 -28.51 59.95 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.532 -0.73 . . . . 0.0 110.257 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.03 -28.25 61.34 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.533 -0.729 . . . . 0.0 110.229 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 48.4 mmm -80.7 -28.36 36.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.564 -0.71 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.67 34.48 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.534 -0.729 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -78.45 -28.75 46.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.522 -0.736 . . . . 0.0 110.248 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.4 t -64.01 -46.58 83.88 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.589 -0.695 . . . . 0.0 110.224 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -72.9 -29.1 62.88 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -66.56 -32.86 74.48 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.568 -0.707 . . . . 0.0 110.196 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -96.13 -32.09 12.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.636 -0.665 . . . . 0.0 110.233 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -70.09 -24.21 63.18 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.561 -0.712 . . . . 0.0 110.443 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.9 t80 . . . . . 0 N--CA 1.498 1.968 0 O-C-N 121.419 -0.801 . . . . 0.0 110.46 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.173 0.511 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.4 tpp -149.33 119.36 7.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.538 -0.726 . . . . 0.0 110.188 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.2 t -83.79 -179.27 7.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.622 -0.674 . . . . 0.0 110.17 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 p -74.16 -28.67 61.42 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.549 -0.719 . . . . 0.0 110.078 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -66.41 -29.33 69.46 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.535 -0.728 . . . . 0.0 110.162 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.4 69.38 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.665 -0.647 . . . . 0.0 110.051 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -78.6 -29.24 45.94 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.566 -0.709 . . . . 0.0 110.151 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -63.54 -52.4 61.29 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.574 -0.704 . . . . 0.0 110.104 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.47 -28.69 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.596 -0.69 . . . . 0.0 109.847 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -72.53 -38.21 68.11 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.544 -0.722 . . . . 0.0 110.104 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.1 m -83.48 -29.14 28.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.662 -0.649 . . . . 0.0 110.153 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 m -78.28 -28.64 47.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.579 -0.7 . . . . 0.0 110.218 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -73.91 -38.91 64.18 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.6 -0.687 . . . . 0.0 110.079 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.71 -52.02 66.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.526 -0.734 . . . . 0.0 110.013 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.53 -26.21 66.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.563 -0.711 . . . . 0.0 110.152 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -78.71 -35.64 44.62 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.545 -0.722 . . . . 0.0 109.903 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -77.25 63.63 2.51 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.608 -0.683 . . . . 0.0 109.883 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -168.25 -41.24 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.674 -0.641 . . . . 0.0 109.96 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 5.6 ptpt -107.84 23.58 14.25 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.613 -0.68 . . . . 0.0 110.586 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 74.4 m-70 -145.09 77.0 13.28 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.492 -0.755 . . . . 0.0 110.075 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.0 -50.36 0.2 Allowed 'Trans proline' 0 C--N 1.318 -1.038 0 O-C-N 123.296 1.156 . . . . 0.0 110.537 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.39 58.71 3.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.591 -0.693 . . . . 0.0 110.244 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -166.18 130.18 2.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 0.0 110.225 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.2 m -89.17 177.63 6.57 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.564 -0.71 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.7 p -167.52 69.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.497 -0.752 . . . . 0.0 110.374 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -60.41 -173.14 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.539 -0.726 . . . . 0.0 109.657 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -73.08 -42.69 62.76 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.89 67.25 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.298 -0.876 . . . . 0.0 110.581 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -62.58 -16.68 57.61 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.05 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -112.74 -44.69 3.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.929 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.6 p -57.41 -23.04 46.96 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.456 -0.778 . . . . 0.0 110.172 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -78.75 -30.67 45.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.541 -0.724 . . . . 0.0 109.781 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -85.15 -46.29 11.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.62 -0.675 . . . . 0.0 110.159 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.28 -28.51 69.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.55 -0.719 . . . . 0.0 110.085 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.1 p -68.42 -32.78 73.06 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.565 -0.709 . . . . 0.0 110.029 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -65.09 -35.16 80.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.59 -0.694 . . . . 0.0 109.951 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -88.03 -39.62 14.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.625 -0.672 . . . . 0.0 110.051 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -60.51 -49.23 78.39 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.574 -0.704 . . . . 0.0 110.193 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -64.29 -26.19 68.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.59 -0.694 . . . . 0.0 110.487 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -93.36 -22.18 19.1 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.474 -0.766 . . . . 0.0 110.703 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.19 135.97 57.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.412 -0.805 . . . . 0.0 110.426 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.2 m -77.93 154.68 31.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.552 -0.717 . . . . 0.0 110.223 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.8 -28.43 6.33 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.49 -0.756 . . . . 0.0 111.148 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -72.27 -25.66 61.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.512 -0.743 . . . . 0.0 110.098 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -91.29 -33.35 15.37 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.476 -0.765 . . . . 0.0 110.347 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -95.9 26.92 3.81 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.451 -0.781 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.7 p -82.54 -29.64 30.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.436 -0.79 . . . . 0.0 110.233 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -70.94 -29.62 65.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.595 -0.691 . . . . 0.0 110.122 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -86.76 -29.19 22.54 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.624 -0.673 . . . . 0.0 110.18 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.06 -29.66 55.24 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.62 -0.675 . . . . 0.0 110.134 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.99 -29.13 58.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.607 -0.683 . . . . 0.0 110.029 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.8 mmt -81.21 -29.17 34.61 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 110.124 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.67 -30.1 41.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.506 -0.746 . . . . 0.0 110.127 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -29.76 65.17 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.65 -0.657 . . . . 0.0 110.052 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -71.95 -30.97 65.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.541 -0.725 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -87.28 -29.59 21.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.603 -0.685 . . . . 0.0 110.105 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.72 -30.4 68.01 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.598 -0.689 . . . . 0.0 110.129 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.42 -28.07 21.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.574 -0.704 . . . . 0.0 110.353 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -60.86 -29.22 69.4 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.581 -0.699 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.8 t80 . . . . . 0 N--CA 1.496 1.838 0 O-C-N 121.515 -0.741 . . . . 0.0 110.09 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.075 0.464 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.95 -168.47 1.55 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.568 -0.708 . . . . 0.0 110.234 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -161.95 175.43 11.84 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.548 -0.72 . . . . 0.0 110.224 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.9 p -65.38 -28.94 69.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.601 -0.687 . . . . 0.0 110.231 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -77.86 -28.97 50.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.557 -0.714 . . . . 0.0 110.191 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.97 -29.34 39.54 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.581 -0.699 . . . . 0.0 110.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -80.85 -29.08 35.89 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.602 -0.686 . . . . 0.0 110.122 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.65 -48.44 77.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.655 -0.653 . . . . 0.0 110.133 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -71.96 -30.11 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.609 -0.682 . . . . 0.0 109.843 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -71.52 -33.19 68.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.585 -0.697 . . . . 0.0 110.052 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.8 m -87.3 -29.53 21.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.635 -0.666 . . . . 0.0 110.058 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -80.21 -32.05 38.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.602 -0.686 . . . . 0.0 110.129 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -69.84 -39.84 76.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.647 -0.658 . . . . 0.0 110.008 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.1 -54.63 38.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.649 -0.657 . . . . 0.0 110.016 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -61.08 -27.84 68.65 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.619 -0.675 . . . . 0.0 110.104 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -73.7 -24.83 59.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.576 -0.703 . . . . 0.0 110.329 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -91.65 18.68 7.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.444 -0.785 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -111.22 -20.31 12.37 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.343 -0.848 . . . . 0.0 110.427 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -134.84 25.81 3.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.417 -0.802 . . . . 0.0 110.634 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 86.1 m-70 -146.27 62.61 8.17 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 110.06 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.67 -28.78 13.65 Favored 'Trans proline' 0 C--N 1.317 -1.08 0 O-C-N 123.281 1.148 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -107.89 41.26 1.56 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.61 -0.681 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -137.73 135.07 36.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.557 -0.714 . . . . 0.0 110.2 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 m -89.75 140.22 29.8 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.584 -0.698 . . . . 0.0 110.212 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 p -144.55 69.23 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.619 -0.676 . . . . 0.0 110.237 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.21 177.1 0.14 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.459 -0.776 . . . . 0.0 109.793 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -64.75 -46.9 80.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.359 -0.838 . . . . 0.0 110.379 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.54 81.84 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.159 -0.963 . . . . 0.0 110.871 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.61 -12.6 60.79 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.586 -0.846 . . . . 0.0 110.273 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -117.81 -42.97 2.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.315 -0.866 . . . . 0.0 110.448 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.6 p -57.2 -22.16 38.75 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.637 -0.665 . . . . 0.0 109.941 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -83.65 -25.87 30.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.503 -0.748 . . . . 0.0 110.33 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -84.35 -42.64 15.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.435 -0.791 . . . . 0.0 110.912 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.1 p -57.95 -30.86 66.32 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.364 -0.835 . . . . 0.0 110.49 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 p -67.94 -39.05 83.53 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.585 -0.697 . . . . 0.0 110.045 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.82 -35.67 80.68 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.632 -0.668 . . . . 0.0 109.932 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -85.91 -37.56 18.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.675 -0.64 . . . . 0.0 110.008 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -67.12 -34.05 76.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.58 -0.7 . . . . 0.0 109.955 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -76.42 -29.54 57.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.571 -0.706 . . . . 0.0 110.075 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.5 p -84.79 -23.77 29.02 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.594 -0.691 . . . . 0.0 110.483 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.5 mmm -57.57 155.44 9.68 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.41 -0.806 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -100.91 -179.54 4.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.601 -0.687 . . . . 0.0 110.353 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.91 -22.59 63.2 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.598 -0.689 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -68.85 -30.44 68.97 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.43 -0.794 . . . . 0.0 109.795 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -98.26 -43.58 6.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.652 -0.655 . . . . 0.0 109.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -61.12 -23.6 65.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.675 -0.641 . . . . 0.0 110.24 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.8 p -67.15 -31.48 71.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.461 -0.774 . . . . 0.0 110.266 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -66.94 -29.44 69.31 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.596 -0.69 . . . . 0.0 110.154 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -93.57 -28.72 15.88 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.569 -0.707 . . . . 0.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.07 -28.62 43.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.591 -0.693 . . . . 0.0 110.204 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -76.3 -28.37 56.96 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.48 -0.762 . . . . 0.0 110.226 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.4 mmt -78.26 -28.74 47.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.542 -0.724 . . . . 0.0 110.247 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.75 -30.69 40.85 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.621 -0.674 . . . . 0.0 110.272 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -74.39 -28.77 61.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.592 -0.693 . . . . 0.0 110.125 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t -61.62 -52.14 65.6 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.627 -0.671 . . . . 0.0 110.151 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -70.61 -28.81 65.13 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.615 -0.678 . . . . 0.0 110.221 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -61.34 -28.7 69.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.59 -0.694 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.04 -28.79 65.76 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.582 -0.699 . . . . 0.0 110.29 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -67.13 -28.57 68.25 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.561 -0.712 . . . . 0.0 110.177 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.4 t80 . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.542 -0.724 . . . . 0.0 110.163 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.2 mttt . . . . . 0 N--CA 1.501 2.081 0 CA-C-O 121.093 0.473 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 mtt -133.39 -168.06 2.03 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.543 -0.723 . . . . 0.0 110.172 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.8 t -153.08 178.63 9.51 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.572 -0.705 . . . . 0.0 110.207 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.8 p -68.75 -28.89 67.21 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.616 -0.677 . . . . 0.0 110.216 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.21 -29.08 63.63 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.615 -0.678 . . . . 0.0 110.109 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -33.92 52.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.557 -0.714 . . . . 0.0 110.026 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -80.11 -29.61 38.98 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.645 -0.659 . . . . 0.0 110.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -63.73 -54.68 31.67 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.658 -0.651 . . . . 0.0 109.999 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.6 t -63.73 -34.8 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.536 -0.727 . . . . 0.0 109.678 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.76 -49.14 71.91 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.61 -0.681 . . . . 0.0 110.073 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 m -69.2 -28.97 66.85 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.602 -0.686 . . . . 0.0 110.088 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 m -81.85 -28.02 33.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.594 -0.691 . . . . 0.0 110.219 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -39.75 65.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.556 -0.715 . . . . 0.0 109.972 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.16 -49.77 74.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.571 -0.705 . . . . 0.0 109.924 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -61.33 -27.69 68.67 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.61 -0.681 . . . . 0.0 110.071 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.422 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 15.3 t60 -77.67 -7.31 56.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.522 -0.736 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -94.6 23.85 5.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.152 -0.967 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -123.67 -44.09 2.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 109.766 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -95.93 22.42 7.44 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.762 -0.586 . . . . 0.0 110.628 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.439 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 81.4 m-70 -145.81 89.67 6.09 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 110.14 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.97 -50.79 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.088 0 O-C-N 123.4 1.211 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -124.66 53.03 1.49 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.583 -0.698 . . . . 0.0 110.145 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.94 -19.47 10.38 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.549 -0.719 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m 56.17 172.47 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.228 -0.92 . . . . 0.0 110.376 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.1 p -168.32 79.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.492 -0.755 . . . . 0.0 110.56 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -59.86 172.9 0.66 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.349 -0.844 . . . . 0.0 109.715 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -67.55 -47.12 70.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.377 -0.827 . . . . 0.0 110.411 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.14 75.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.336 -0.852 . . . . 0.0 110.674 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -64.36 -15.53 60.57 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.656 -0.817 . . . . 0.0 110.152 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -115.81 -46.24 2.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.882 . . . . 0.0 110.639 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.1 p -55.39 -23.79 26.43 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.603 -0.686 . . . . 0.0 110.119 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -70.86 -29.75 65.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.594 -0.692 . . . . 0.0 109.663 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -88.93 -44.96 10.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.1 m -60.96 -28.98 69.37 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.59 -0.694 . . . . 0.0 110.068 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.8 p -73.47 -36.42 65.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.632 -0.668 . . . . 0.0 109.8 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.07 -30.96 69.4 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.633 -0.667 . . . . 0.0 109.75 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -88.63 -38.59 14.71 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.628 -0.67 . . . . 0.0 109.88 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -62.78 -54.19 42.78 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.647 -0.658 . . . . 0.0 109.791 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -60.26 -25.95 66.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.675 -0.641 . . . . 0.0 110.523 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.4 p -95.72 -15.69 22.46 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.533 -0.73 . . . . 0.0 111.01 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 167.03 1.06 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.218 -0.926 . . . . 0.0 110.578 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.2 m -95.36 172.74 7.91 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.544 -0.722 . . . . 0.0 110.38 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.08 -24.48 64.15 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.619 -0.676 . . . . 0.0 110.518 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -68.67 -30.55 69.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.413 -0.805 . . . . 0.0 109.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -96.16 -38.54 10.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.625 -0.672 . . . . 0.0 109.897 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -69.84 -19.06 63.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.696 -0.628 . . . . 0.0 110.53 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 p -79.0 -30.06 44.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.379 -0.826 . . . . 0.0 110.39 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -62.88 -29.2 70.58 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.479 -0.763 . . . . 0.0 110.199 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -94.19 -29.02 15.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.589 -0.694 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -72.95 -29.31 62.99 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.537 -0.727 . . . . 0.0 110.19 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -79.71 -28.31 40.6 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.567 -0.708 . . . . 0.0 110.221 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.3 mtt -79.26 -28.77 42.4 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.548 -0.72 . . . . 0.0 110.278 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.85 -32.31 46.02 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.522 -0.737 . . . . 0.0 110.107 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -70.37 -29.27 65.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.568 -0.707 . . . . 0.0 110.177 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 t -62.67 -41.48 99.1 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.583 -0.698 . . . . 0.0 110.134 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -82.91 -29.29 29.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.548 -0.72 . . . . 0.0 110.193 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -63.86 -29.17 70.39 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.575 -0.703 . . . . 0.0 110.165 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.25 -29.14 14.66 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.606 -0.684 . . . . 0.0 110.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -70.87 -27.9 64.17 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.55 -0.719 . . . . 0.0 110.203 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 110.679 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.12 0.486 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -106.96 -75.88 0.62 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.539 -0.726 . . . . 0.0 110.204 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -169.55 -175.86 2.28 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.432 -0.793 . . . . 0.0 110.205 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -70.74 -28.3 64.6 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.658 -0.651 . . . . 0.0 110.177 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -75.45 -29.09 59.54 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.507 -0.746 . . . . 0.0 110.155 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.62 -40.22 66.63 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.572 -0.705 . . . . 0.0 109.908 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -70.84 -28.91 64.95 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.673 -0.642 . . . . 0.0 109.987 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.97 -50.85 71.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.605 -0.684 . . . . 0.0 110.186 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.99 -30.6 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.533 -0.729 . . . . 0.0 109.893 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -70.25 -41.42 73.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.533 -0.729 . . . . 0.0 110.122 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.1 m -80.37 -27.79 38.14 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.571 -0.706 . . . . 0.0 110.247 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.4 m -76.23 -26.21 55.84 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.593 -0.692 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -70.69 -44.42 67.01 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.514 -0.741 . . . . 0.0 109.993 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -60.82 -40.85 94.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.546 -0.721 . . . . 0.0 109.842 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -71.67 -18.93 62.15 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.705 -0.622 . . . . 0.0 110.262 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 33.1 t60 -96.87 30.2 2.77 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.417 -0.802 . . . . 0.0 110.105 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -126.89 -51.28 1.45 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.424 -0.798 . . . . 0.0 110.501 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -61.73 -26.85 68.32 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.599 -0.688 . . . . 0.0 110.495 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 18.7 ptpt -105.41 -23.51 12.82 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.54 -0.725 . . . . 0.0 110.609 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 49.1 m-70 -117.43 69.7 5.97 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 121.422 -0.799 . . . . 0.0 110.305 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.2 -49.69 0.22 Allowed 'Trans proline' 0 C--N 1.317 -1.106 0 O-C-N 123.256 1.134 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.46 59.1 2.89 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.587 -0.696 . . . . 0.0 110.185 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.0 m -150.76 132.47 14.93 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.553 -0.717 . . . . 0.0 110.231 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -80.68 144.36 32.32 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.571 -0.706 . . . . 0.0 110.109 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 p -156.04 69.22 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.581 -0.699 . . . . 0.0 110.225 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.18 -178.26 0.08 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.481 -0.762 . . . . 0.0 109.767 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -72.06 -41.06 67.85 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.386 -0.821 . . . . 0.0 110.202 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.47 -43.48 63.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.272 -0.892 . . . . 0.0 110.506 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.42 -16.65 56.22 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.921 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -110.94 -45.49 3.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.284 -0.885 . . . . 0.0 111.008 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.4 p -56.5 -24.21 44.75 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.445 -0.785 . . . . 0.0 110.173 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -80.6 -29.71 36.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.573 -0.705 . . . . 0.0 109.78 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.73 -40.33 15.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.561 -0.712 . . . . 0.0 110.224 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.6 m -60.63 -29.68 69.4 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.602 -0.686 . . . . 0.0 109.989 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -34.79 66.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.513 -0.742 . . . . 0.0 109.859 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.19 -28.26 69.55 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.572 -0.705 . . . . 0.0 109.899 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -95.66 -40.84 9.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.665 -0.647 . . . . 0.0 109.827 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -60.16 -41.63 93.23 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.651 -0.656 . . . . 0.0 109.759 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -66.42 -16.9 64.45 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.613 -0.679 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -118.76 -1.15 11.13 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.283 -0.886 . . . . 0.0 111.182 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmm -59.2 164.93 2.85 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.152 -0.967 . . . . 0.0 110.235 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -89.78 166.39 13.58 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.492 -0.755 . . . . 0.0 110.334 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.83 -23.47 66.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.597 -0.69 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -73.63 -30.43 62.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.426 -0.796 . . . . 0.0 109.863 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -94.7 -34.25 12.62 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.722 -0.611 . . . . 0.0 109.938 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -73.69 -25.05 60.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.637 -0.665 . . . . 0.0 110.254 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -69.42 -31.16 69.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.516 -0.74 . . . . 0.0 110.22 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -64.45 -32.05 73.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.611 -0.68 . . . . 0.0 110.114 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -90.86 -29.13 17.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.543 -0.723 . . . . 0.0 110.174 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.74 -29.83 29.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.635 -0.665 . . . . 0.0 110.179 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.01 -29.04 29.21 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.587 -0.696 . . . . 0.0 110.123 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.7 mtt -77.93 -29.29 49.89 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.569 -0.707 . . . . 0.0 110.131 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.59 -33.83 41.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.575 -0.703 . . . . 0.0 110.169 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -81.05 -30.27 34.86 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.579 -0.701 . . . . 0.0 110.156 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 t -66.94 -33.13 74.91 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.623 -0.673 . . . . 0.0 110.028 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.03 -29.06 23.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.586 -0.696 . . . . 0.0 110.118 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.46 -34.34 74.23 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.625 -0.672 . . . . 0.0 110.153 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.05 -29.51 60.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.559 -0.713 . . . . 0.0 110.066 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -71.82 -27.83 63.17 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.635 -0.666 . . . . 0.0 110.156 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.4 t80 . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.569 -0.707 . . . . 0.0 110.275 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt . . . . . 0 N--CA 1.501 2.104 0 CA-C-O 121.078 0.466 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.7 mtt -138.79 -41.15 0.49 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.558 -0.714 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t 62.48 162.01 0.09 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.182 -0.949 . . . . 0.0 110.115 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.408 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 77.8 p -58.78 -30.56 67.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.624 -0.673 . . . . 0.0 110.887 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -60.74 -25.9 66.8 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.458 -0.776 . . . . 0.0 110.616 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.37 -34.93 31.42 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.476 -0.765 . . . . 0.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -76.29 -25.83 55.27 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.527 -0.733 . . . . 0.0 110.491 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -69.04 -49.86 53.8 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.35 -0.844 . . . . 0.0 110.312 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t -72.42 -31.35 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.559 -0.713 . . . . 0.0 110.003 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -71.49 -29.18 64.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.538 -0.726 . . . . 0.0 110.182 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.3 m -97.57 -27.55 14.35 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.556 -0.715 . . . . 0.0 110.289 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -76.4 -28.55 56.75 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.633 -0.667 . . . . 0.0 110.234 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -76.54 -35.5 58.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.597 -0.69 . . . . 0.0 110.147 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.71 -50.05 66.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.664 -0.648 . . . . 0.0 110.071 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -63.08 -24.16 67.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.611 -0.681 . . . . 0.0 110.423 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -68.81 -46.87 67.53 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.414 -0.804 . . . . 0.0 110.226 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -62.1 -28.05 69.35 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.572 -0.705 . . . . 0.0 110.432 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -60.71 -26.6 67.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.52 -0.738 . . . . 0.0 110.486 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -128.33 19.6 6.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.504 -0.748 . . . . 0.0 110.871 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 78.1 m-70 -144.87 63.28 10.16 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.442 -0.786 . . . . 0.0 110.184 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.02 -41.28 1.4 Allowed 'Trans proline' 0 C--N 1.318 -1.057 0 O-C-N 123.272 1.143 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.81 55.55 1.38 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.618 -0.676 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 m -152.13 -158.4 0.9 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.56 -0.712 . . . . 0.0 110.144 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -151.72 160.65 43.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.571 -0.706 . . . . 0.0 110.168 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -156.23 70.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.605 -0.684 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -58.84 172.64 0.51 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.547 -0.721 . . . . 0.0 109.731 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' SER . 83.6 m-85 -62.67 -64.71 0.84 Allowed 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.32 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.66 -49.17 68.53 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.495 -0.753 . . . . 0.0 111.892 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -54.18 -23.68 15.33 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.189 -0.944 . . . . 0.0 110.277 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -105.75 -26.98 11.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.546 -0.721 . . . . 0.0 110.17 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' PHE . 4.8 p -64.24 -26.7 68.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.664 -0.647 . . . . 0.0 109.443 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -84.81 -25.47 28.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.745 -0.597 . . . . 0.0 110.349 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -84.73 -41.94 15.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.512 -0.743 . . . . 0.0 110.754 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.3 p -58.9 -31.3 68.49 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.444 -0.785 . . . . 0.0 110.45 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.9 p -67.58 -34.26 76.67 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.593 -0.692 . . . . 0.0 110.12 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.6 -28.83 68.81 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.59 -0.694 . . . . 0.0 110.073 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -94.52 -42.18 8.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.591 -0.693 . . . . 0.0 110.251 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.408 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 72.4 t-105 -60.64 -29.86 69.52 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.635 -0.665 . . . . 0.0 110.248 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -80.95 -27.72 35.94 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.536 -0.728 . . . . 0.0 110.371 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.7 p -84.35 -26.59 28.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.528 -0.733 . . . . 0.0 110.464 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.8 mmm -59.36 152.31 21.54 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.376 -0.828 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.5 t -107.36 -173.8 2.38 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.579 -0.7 . . . . 0.0 110.293 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.73 -20.7 65.95 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.592 -0.692 . . . . 0.0 110.701 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -72.84 -27.99 62.26 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.357 -0.84 . . . . 0.0 110.142 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -105.78 -25.36 12.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.622 -0.674 . . . . 0.0 110.483 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -95.71 27.59 3.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.415 -0.803 . . . . 0.0 110.485 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 p -105.06 -33.27 8.36 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.47 -0.769 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -70.98 -30.21 66.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.569 -0.707 . . . . 0.0 110.36 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -76.47 -33.16 58.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.58 -0.7 . . . . 0.0 110.186 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.54 -30.41 71.44 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.568 -0.708 . . . . 0.0 110.209 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -71.94 -28.66 63.61 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.576 -0.703 . . . . 0.0 110.18 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.0 mmt -80.97 -33.14 34.04 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.559 -0.713 . . . . 0.0 110.187 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.75 -39.52 73.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.688 -0.632 . . . . 0.0 110.155 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -62.95 -26.93 69.05 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.638 -0.664 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.0 t -59.89 -47.26 86.48 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.486 -0.759 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -82.46 -40.44 21.14 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.553 -0.717 . . . . 0.0 110.175 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -62.68 -28.23 69.78 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.679 -0.638 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.07 -30.72 31.17 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.651 -0.655 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -85.13 -28.63 25.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.526 -0.734 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.59 -0.694 . . . . 0.0 110.21 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.107 0.479 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.4 mtt -148.74 115.59 6.02 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.539 -0.726 . . . . 0.0 110.181 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -78.05 179.79 6.59 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.53 -0.732 . . . . 0.0 110.245 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.1 p -71.81 -28.61 63.7 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.62 -0.675 . . . . 0.0 110.205 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -74.12 -28.83 61.53 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.555 -0.716 . . . . 0.0 110.146 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.99 -45.4 61.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.59 -0.694 . . . . 0.0 110.102 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -62.23 -29.07 70.13 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.541 -0.724 . . . . 0.0 110.101 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.86 -59.81 4.34 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.622 -0.674 . . . . 0.0 110.215 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.81 -29.6 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.592 -0.692 . . . . 0.0 109.88 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -69.46 -33.43 72.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.543 -0.723 . . . . 0.0 110.093 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.3 m -89.24 -29.28 19.35 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.6 -0.688 . . . . 0.0 110.137 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.6 m -79.63 -29.54 41.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.6 -0.688 . . . . 0.0 110.108 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -33.21 43.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.629 -0.669 . . . . 0.0 110.09 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.14 -28.93 68.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.643 -0.66 . . . . 0.0 110.15 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -96.01 24.35 5.62 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.491 -0.756 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -104.49 -45.36 4.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.462 -0.774 . . . . 0.0 110.121 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -61.17 -26.86 68.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.677 -0.639 . . . . 0.0 110.413 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -59.7 -27.06 66.11 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.477 -0.765 . . . . 0.0 110.491 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -131.4 21.01 4.76 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.469 -0.769 . . . . 0.0 110.818 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 80.3 m-70 -145.33 75.56 13.67 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.393 -0.817 . . . . 0.0 110.123 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.05 -46.27 0.39 Allowed 'Trans proline' 0 C--N 1.318 -1.074 0 O-C-N 123.283 1.149 . . . . 0.0 110.407 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.01 64.54 0.68 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.574 -0.704 . . . . 0.0 110.191 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -153.12 -49.69 0.1 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.453 -0.78 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m 54.79 174.56 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.42 -0.8 . . . . 0.0 110.753 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.7 m -147.92 120.61 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.734 -0.604 . . . . 0.0 110.53 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -90.53 51.49 2.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.554 -0.716 . . . . 0.0 109.818 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 56.94 -84.9 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.81 -0.556 . . . . 0.0 110.892 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.63 -23.46 2.61 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.787 -1.196 . . . . 0.0 112.041 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -77.77 -18.1 56.8 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.439 -0.904 . . . . 0.0 109.786 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -120.28 -43.51 2.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.486 -0.759 . . . . 0.0 109.636 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.7 p -56.77 -22.8 38.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.835 -0.541 . . . . 0.0 109.966 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -71.74 -31.11 66.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.575 -0.703 . . . . 0.0 110.0 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.58 -37.67 20.88 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.567 -0.708 . . . . 0.0 110.196 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.4 m -60.93 -32.63 72.13 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.519 -0.738 . . . . 0.0 110.078 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -64.07 -36.73 84.98 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.476 -0.765 . . . . 0.0 109.851 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.79 -28.77 69.79 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.542 -0.724 . . . . 0.0 109.958 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -91.16 -38.81 12.49 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.584 -0.698 . . . . 0.0 110.074 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.41 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 60.4 t-105 -62.44 -53.24 57.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.586 -0.697 . . . . 0.0 110.126 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -62.81 -26.15 68.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.554 -0.716 . . . . 0.0 110.553 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.3 p -92.79 -17.66 23.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.516 -0.74 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.3 mmm -56.1 152.67 10.21 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.31 -0.868 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 t -80.11 163.67 23.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.583 -0.698 . . . . 0.0 110.36 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.67 -26.27 66.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.596 -0.69 . . . . 0.0 110.294 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -69.28 -31.16 69.49 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.482 -0.761 . . . . 0.0 109.729 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -92.63 -38.41 11.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.681 -0.637 . . . . 0.0 109.887 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.41 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 19.3 mtmt -67.44 -22.39 65.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.644 -0.66 . . . . 0.0 110.271 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.2 p -70.37 -30.38 67.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.448 -0.783 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -62.28 -29.03 70.14 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.626 -0.671 . . . . 0.0 110.204 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -89.53 -28.76 19.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.636 -0.665 . . . . 0.0 110.194 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -76.78 -28.94 55.85 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.639 -0.663 . . . . 0.0 110.239 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -70.68 -31.63 68.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.571 -0.706 . . . . 0.0 110.084 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -29.08 32.08 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.617 -0.677 . . . . 0.0 110.05 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.95 -29.38 43.94 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.649 -0.657 . . . . 0.0 110.198 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -78.14 -28.84 48.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.595 -0.691 . . . . 0.0 110.156 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.7 t -72.2 -30.98 65.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.662 -0.649 . . . . 0.0 110.114 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -83.07 -29.58 28.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.619 -0.675 . . . . 0.0 110.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -68.29 -30.08 69.0 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.647 -0.658 . . . . 0.0 110.136 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.26 -28.77 23.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.601 -0.687 . . . . 0.0 110.224 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -74.58 -28.65 61.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.524 -0.735 . . . . 0.0 110.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.1 t80 . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.572 -0.705 . . . . 0.0 110.191 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 121.021 0.439 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.6 mtt -134.64 -162.61 1.27 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.54 -0.725 . . . . 0.0 109.803 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -139.94 179.34 6.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.535 -0.728 . . . . 0.0 110.1 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.3 p -59.72 -29.51 68.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.53 -0.732 . . . . 0.0 110.418 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -70.71 -30.47 67.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.595 -0.691 . . . . 0.0 110.2 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.56 -37.8 27.15 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.578 -0.702 . . . . 0.0 110.157 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -65.08 -29.23 70.08 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.656 -0.653 . . . . 0.0 110.143 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 49' ' ' TRP . 32.3 t80 -61.38 -51.49 68.58 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.628 -0.67 . . . . 0.0 110.139 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.73 -29.64 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.579 -0.7 . . . . 0.0 109.907 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -70.03 -36.06 74.79 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.603 -0.686 . . . . 0.0 110.101 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -84.47 -29.43 26.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.567 -0.708 . . . . 0.0 110.055 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.6 m -78.89 -29.66 44.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.618 -0.676 . . . . 0.0 110.174 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -41.26 69.45 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.527 -0.733 . . . . 0.0 109.982 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -63.74 -33.27 75.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.58 -0.7 . . . . 0.0 109.828 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.21 -12.36 59.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.663 -0.648 . . . . 0.0 110.833 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.497 ' CD2' ' CD2' ' A' ' 31' ' ' HIS . 14.3 t60 -90.63 17.29 7.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.267 -0.895 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -111.97 22.76 14.52 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.245 -0.909 . . . . 0.0 110.586 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -114.62 -30.83 6.38 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.374 -0.829 . . . . 0.0 110.152 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 1.5 ptmm? -126.73 31.15 5.37 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.625 -0.672 . . . . 0.0 110.423 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CD2' ' CD2' ' A' ' 27' ' ' HIS . 81.9 m-70 -145.61 80.12 10.9 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.595 -0.691 . . . . 0.0 110.253 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.8 -50.8 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.04 0 O-C-N 123.405 1.213 . . . . 0.0 110.372 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.13 58.53 1.18 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.577 -0.702 . . . . 0.0 110.061 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.5 t -111.03 -22.33 11.53 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.568 -0.707 . . . . 0.0 110.605 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m 54.97 98.0 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.259 -0.901 . . . . 0.0 110.514 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -107.53 77.63 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.606 -0.684 . . . . 0.0 110.444 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -59.36 -173.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.399 -0.813 . . . . 0.0 109.829 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -76.08 -47.66 23.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.384 -0.822 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.58 74.97 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.312 -0.868 . . . . 0.0 110.679 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.61 -16.93 59.04 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.225 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -115.5 -46.04 2.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.324 -0.86 . . . . 0.0 110.63 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.1 p -56.54 -23.35 39.42 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.524 -0.735 . . . . 0.0 110.203 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -68.09 -29.77 68.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.554 -0.716 . . . . 0.0 109.762 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -92.08 -45.86 8.08 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.567 -0.708 . . . . 0.0 110.177 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 72.6 m -61.38 -29.42 69.91 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.549 -0.719 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.4 p -72.64 -33.51 66.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.565 -0.709 . . . . 0.0 109.796 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -72.68 -31.03 64.73 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.606 -0.684 . . . . 0.0 109.738 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -89.81 -38.78 13.53 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.722 -0.611 . . . . 0.0 109.863 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.423 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 61.6 t-105 -61.36 -48.62 80.47 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.586 -0.696 . . . . 0.0 109.849 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -65.77 -26.4 67.7 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.67 -0.644 . . . . 0.0 110.432 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.1 p -101.04 -0.6 36.1 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.478 -0.764 . . . . 0.0 111.054 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.1 mmm -61.72 163.1 7.69 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.207 -0.933 . . . . 0.0 110.167 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -88.45 166.74 14.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.626 -0.671 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.26 -19.93 65.58 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.633 -0.667 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -74.16 -30.4 62.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.311 -0.868 . . . . 0.0 109.905 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -95.94 -34.54 11.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.642 -0.661 . . . . 0.0 109.996 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -74.05 -25.15 59.68 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.629 -0.67 . . . . 0.0 110.29 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.3 p -71.47 -29.38 64.77 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.482 -0.761 . . . . 0.0 110.238 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -62.93 -29.01 70.46 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.547 -0.72 . . . . 0.0 110.178 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -94.79 -28.89 15.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.594 -0.691 . . . . 0.0 110.202 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.56 -29.03 65.37 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.534 -0.729 . . . . 0.0 110.184 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.46 -28.14 23.66 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.581 -0.7 . . . . 0.0 110.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.6 mtp -78.03 -28.57 49.06 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.598 -0.688 . . . . 0.0 110.176 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.14 22.97 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.571 -0.705 . . . . 0.0 110.176 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -68.83 -29.66 68.04 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.559 -0.713 . . . . 0.0 110.156 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.5 t -63.94 -36.3 83.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.556 -0.715 . . . . 0.0 110.14 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.1 -28.69 21.14 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.584 -0.698 . . . . 0.0 110.273 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -60.39 -28.25 68.08 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.567 -0.708 . . . . 0.0 110.381 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.07 -29.09 60.58 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.557 -0.715 . . . . 0.0 110.242 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -61.58 -26.48 67.99 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.567 -0.708 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 N--CA 1.499 1.98 0 O-C-N 121.521 -0.737 . . . . 0.0 110.33 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttt . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.054 0.454 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.42 99.76 6.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.665 -0.647 . . . . 0.0 110.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.4 t -81.11 -176.82 6.16 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.678 -0.639 . . . . 0.0 110.134 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.4 p -70.02 -28.75 65.75 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.587 -0.695 . . . . 0.0 110.156 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -67.33 -29.32 68.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.607 -0.683 . . . . 0.0 110.073 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.6 -36.18 52.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.521 -0.737 . . . . 0.0 110.037 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -73.82 -29.22 62.03 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.58 -0.7 . . . . 0.0 110.084 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -62.45 -52.74 62.32 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.605 -0.684 . . . . 0.0 110.143 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.51 -29.59 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.607 -0.683 . . . . 0.0 109.802 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -68.5 -32.87 73.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.544 -0.722 . . . . 0.0 110.082 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.6 m -85.85 -29.41 23.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.61 -0.681 . . . . 0.0 110.129 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 m -84.97 -28.03 26.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.592 -0.692 . . . . 0.0 110.238 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -43.12 48.39 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.528 -0.733 . . . . 0.0 110.106 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.58 -28.19 65.33 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.474 -0.766 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -87.16 -26.83 23.39 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.537 -0.727 . . . . 0.0 110.155 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.405 ' CD2' HG21 ' A' ' 36' ' ' VAL . 13.1 t60 -69.16 -10.21 56.6 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.519 -0.738 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -91.87 20.62 5.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.124 -0.985 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -117.41 -17.01 10.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.359 -0.838 . . . . 0.0 110.824 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -139.5 26.23 2.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.253 -0.905 . . . . 0.0 110.631 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 85.2 m-70 -145.97 72.63 13.57 Favored Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.555 -0.715 . . . . 0.0 110.245 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.91 -50.74 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.062 0 O-C-N 123.351 1.185 . . . . 0.0 110.435 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.7 48.93 0.93 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.587 -0.695 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 t -113.47 -28.75 7.42 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.545 -0.722 . . . . 0.0 110.231 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 m 52.82 96.03 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.406 -0.809 . . . . 0.0 110.73 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.405 HG21 ' CD2' ' A' ' 27' ' ' HIS . 75.5 t -92.08 100.34 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.639 -0.663 . . . . 0.0 110.262 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -94.46 46.85 1.16 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.568 -0.708 . . . . 0.0 109.608 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 60.13 -78.59 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.945 -0.472 . . . . 0.0 111.007 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.47 -27.78 7.16 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.996 -1.065 . . . . 0.0 111.776 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -73.53 -18.2 61.12 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.811 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -117.93 -44.63 2.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.463 -0.773 . . . . 0.0 109.963 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 p -55.53 -23.8 28.47 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.675 -0.641 . . . . 0.0 110.002 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -68.45 -30.11 68.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.654 -0.654 . . . . 0.0 109.752 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -86.8 -42.51 13.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.652 -0.655 . . . . 0.0 110.157 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 66.1 m -60.93 -28.41 68.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.584 -0.698 . . . . 0.0 110.128 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.5 p -72.06 -30.21 64.92 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.542 -0.724 . . . . 0.0 109.94 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.06 -30.27 63.59 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.63 -0.669 . . . . 0.0 109.837 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -90.85 -37.18 13.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.566 -0.709 . . . . 0.0 109.905 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -64.96 -37.44 87.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.626 -0.671 . . . . 0.0 110.024 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -79.92 -24.73 40.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.582 -0.698 . . . . 0.0 110.616 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.6 p -94.39 -21.98 18.6 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.437 -0.79 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.0 mtp -57.7 165.88 1.54 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.307 -0.871 . . . . 0.0 110.386 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -104.3 -168.68 1.52 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.6 -0.688 . . . . 0.0 110.365 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.87 -8.51 57.48 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.553 -0.717 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -74.66 -30.74 61.7 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.259 -0.901 . . . . 0.0 109.794 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -102.18 -37.42 8.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.703 -0.623 . . . . 0.0 109.926 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -67.81 -26.57 66.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.708 -0.62 . . . . 0.0 110.241 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 p -64.61 -32.19 73.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.508 -0.745 . . . . 0.0 110.273 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -68.87 -29.22 67.47 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.526 -0.734 . . . . 0.0 110.163 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -93.91 -28.8 15.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.57 -0.706 . . . . 0.0 110.185 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.71 -28.76 62.86 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.555 -0.716 . . . . 0.0 110.169 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.06 -28.72 48.92 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.494 -0.754 . . . . 0.0 110.146 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.2 mmt -81.14 -28.94 34.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.614 -0.679 . . . . 0.0 110.163 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.48 -41.37 60.85 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.589 -0.695 . . . . 0.0 110.115 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -65.15 -30.55 71.48 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.575 -0.703 . . . . 0.0 110.065 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -63.23 -37.49 87.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.646 -0.659 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -87.04 -32.44 19.99 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.589 -0.694 . . . . 0.0 110.089 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -65.29 -29.15 69.88 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.632 -0.667 . . . . 0.0 110.088 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.86 -25.53 35.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.687 -0.633 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -98.21 24.46 7.15 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.516 -0.74 . . . . 0.0 110.594 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 O-C-N 121.399 -0.813 . . . . 0.0 110.245 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.092 0.473 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.0 ttm -161.11 123.46 3.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.651 -0.655 . . . . 0.0 110.166 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 t -82.35 -179.84 7.55 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.617 -0.677 . . . . 0.0 110.242 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.5 p -69.07 -28.73 66.79 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.568 -0.707 . . . . 0.0 110.177 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -70.78 -29.15 65.28 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.616 -0.677 . . . . 0.0 110.184 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.53 -30.28 52.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.491 -0.756 . . . . 0.0 110.045 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -76.99 -29.41 55.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.536 -0.727 . . . . 0.0 110.088 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -62.17 -56.69 16.21 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.576 -0.703 . . . . 0.0 109.949 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.34 -31.39 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.594 -0.691 . . . . 0.0 109.629 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.14 -51.29 39.87 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.579 -0.701 . . . . 0.0 109.832 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 m -69.88 -30.69 68.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.61 -0.681 . . . . 0.0 109.685 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -73.38 -28.65 62.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.622 -0.674 . . . . 0.0 109.917 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -69.18 -42.74 75.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.511 -0.743 . . . . 0.0 109.682 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -62.87 -46.8 86.17 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.625 -0.672 . . . . 0.0 109.643 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -62.74 -25.02 67.98 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.721 -0.612 . . . . 0.0 110.027 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 56.2 t60 -95.23 36.3 1.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.514 -0.741 . . . . 0.0 110.113 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -130.12 25.01 5.24 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.135 -0.978 . . . . 0.0 110.885 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -108.39 -60.29 1.75 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.392 -0.817 . . . . 0.0 110.1 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.54 62.07 0.61 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.589 -0.694 . . . . 0.0 110.024 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 13.6 m80 -144.95 54.2 2.4 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 121.368 -0.833 . . . . 0.0 109.782 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.1 Cg_endo -72.36 -49.42 0.28 Allowed 'Trans proline' 0 C--N 1.318 -1.031 0 O-C-N 123.372 1.196 . . . . 0.0 110.431 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -101.89 40.39 1.33 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.597 -0.689 . . . . 0.0 110.236 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -132.14 126.69 34.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.596 -0.69 . . . . 0.0 110.214 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -91.04 145.3 24.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.564 -0.71 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.18 63.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.61 -0.681 . . . . 0.0 110.312 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -58.75 175.02 0.29 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.486 -0.759 . . . . 0.0 109.856 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -63.93 -43.45 95.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.279 -0.888 . . . . 0.0 110.357 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.07 -42.36 72.88 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.23 -0.919 . . . . 0.0 110.659 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.02 -15.5 59.55 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.164 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -113.09 -42.85 3.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 110.805 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.5 p -57.68 -21.69 41.65 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.55 -0.719 . . . . 0.0 110.033 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -88.54 -27.98 21.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.527 -0.733 . . . . 0.0 110.341 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.03 -36.83 21.0 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.527 -0.733 . . . . 0.0 110.841 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.1 p -59.45 -31.53 69.39 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.318 -0.864 . . . . 0.0 110.264 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.6 p -61.28 -36.12 79.18 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.602 -0.687 . . . . 0.0 110.192 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -62.06 -29.36 70.24 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.66 -0.65 . . . . 0.0 110.134 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -94.32 -38.58 10.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.682 -0.636 . . . . 0.0 110.119 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -63.08 -44.29 96.14 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.571 -0.706 . . . . 0.0 110.147 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -66.94 -28.41 68.26 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.666 -0.646 . . . . 0.0 110.21 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.9 p -85.76 -24.21 26.97 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.606 -0.684 . . . . 0.0 110.492 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.6 mmm -58.19 152.65 16.62 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.388 -0.82 . . . . 0.0 110.455 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.1 m -102.97 -176.13 3.0 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.619 -0.675 . . . . 0.0 110.274 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.57 -21.82 62.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.665 -0.647 . . . . 0.0 110.675 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -69.55 -29.98 67.68 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.394 -0.816 . . . . 0.0 109.933 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -99.94 -41.83 7.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.586 -0.697 . . . . 0.0 110.023 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -60.22 -23.86 64.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.663 -0.648 . . . . 0.0 110.384 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -63.6 -31.55 72.76 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.441 -0.787 . . . . 0.0 110.278 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -69.15 -30.39 68.62 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.57 -0.706 . . . . 0.0 110.185 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -88.55 -28.79 20.51 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.571 -0.706 . . . . 0.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -79.17 -28.91 42.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.617 -0.677 . . . . 0.0 110.149 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -76.23 -29.14 57.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.623 -0.673 . . . . 0.0 110.147 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.9 mmt -81.63 -29.78 33.08 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.601 -0.687 . . . . 0.0 110.144 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.09 -29.4 34.91 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.642 -0.661 . . . . 0.0 110.154 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -72.9 -30.0 63.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.622 -0.674 . . . . 0.0 110.135 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -63.89 -37.78 88.65 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.606 -0.684 . . . . 0.0 110.054 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.3 -29.29 21.71 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.626 -0.672 . . . . 0.0 110.127 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.73 -30.11 65.26 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.666 -0.646 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.84 -29.09 22.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.66 -0.65 . . . . 0.0 110.246 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -63.17 -31.05 72.1 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.499 -0.751 . . . . 0.0 110.109 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 . . . . . 0 N--CA 1.496 1.864 0 O-C-N 121.53 -0.732 . . . . 0.0 110.083 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 121.07 0.462 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 61.6 mtt -103.01 -168.52 1.53 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.592 -0.692 . . . . 0.0 110.167 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.0 t -162.87 178.84 8.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.622 -0.674 . . . . 0.0 110.225 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -63.03 -29.07 70.53 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.545 -0.722 . . . . 0.0 110.227 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -76.51 -30.6 57.25 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.98 -29.37 39.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.709 . . . . 0.0 110.14 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -81.0 -29.25 35.22 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.576 -0.702 . . . . 0.0 110.121 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -62.19 -47.31 85.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.621 -0.674 . . . . 0.0 109.943 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.47 -35.03 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.585 -0.697 . . . . 0.0 109.803 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.2 -58.61 5.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.518 -0.739 . . . . 0.0 109.969 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.6 m -63.14 -29.61 70.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.516 -0.74 . . . . 0.0 109.996 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 m -75.87 -29.87 58.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.615 -0.678 . . . . 0.0 110.101 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -78.25 -35.53 48.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.574 -0.704 . . . . 0.0 110.054 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.85 -50.18 73.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.602 -0.687 . . . . 0.0 109.893 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.48 -27.15 68.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.688 -0.633 . . . . 0.0 110.11 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -68.49 -28.95 67.47 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.473 -0.767 . . . . 0.0 110.089 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -80.66 60.22 3.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.587 -0.696 . . . . 0.0 110.156 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -152.88 -44.65 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.61 -0.681 . . . . 0.0 110.038 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 13.6 ptpt -119.83 31.66 6.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.679 -0.638 . . . . 0.0 110.246 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 84.3 m-70 -146.08 60.17 6.14 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.682 -0.636 . . . . 0.0 110.021 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.81 -48.1 0.31 Allowed 'Trans proline' 0 C--N 1.317 -1.08 0 O-C-N 123.298 1.157 . . . . 0.0 110.538 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -94.75 59.85 2.44 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.566 -0.708 . . . . 0.0 110.244 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -152.27 -158.83 0.94 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.552 -0.717 . . . . 0.0 110.235 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 m -154.53 161.28 41.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.616 -0.678 . . . . 0.0 110.017 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.37 68.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.574 -0.704 . . . . 0.0 110.439 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -60.43 176.18 0.38 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.49 -0.756 . . . . 0.0 109.618 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -66.78 -42.43 86.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.275 -0.891 . . . . 0.0 110.335 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.38 -43.42 70.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.256 -0.903 . . . . 0.0 110.726 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.02 -16.29 59.32 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.178 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -112.06 -43.7 3.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.259 -0.9 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -55.8 -23.22 28.81 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.433 -0.792 . . . . 0.0 109.984 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -86.61 -26.74 24.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.485 -0.759 . . . . 0.0 110.186 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -84.4 -40.68 17.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.484 -0.76 . . . . 0.0 110.759 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.3 p -57.98 -30.29 65.92 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.4 -0.813 . . . . 0.0 110.318 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.0 p -70.97 -36.31 72.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.691 -0.631 . . . . 0.0 109.932 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.16 -25.03 63.55 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.64 -0.662 . . . . 0.0 110.208 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -102.73 -31.48 10.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.513 -0.742 . . . . 0.0 110.046 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -71.86 -29.63 64.58 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.638 -0.664 . . . . 0.0 110.1 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -27.47 61.93 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.558 -0.714 . . . . 0.0 110.18 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 t -112.25 4.09 17.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.774 . . . . 0.0 111.165 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -168.68 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.203 -0.935 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 m -128.43 152.1 48.6 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.608 -0.683 . . . . 0.0 110.238 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.93 -26.12 9.68 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.608 -0.683 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -76.58 -29.77 56.75 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.538 -0.726 . . . . 0.0 110.078 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -81.01 -28.73 35.34 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.607 -0.683 . . . . 0.0 110.19 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -97.36 4.18 50.81 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.625 -0.672 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.1 p -65.85 -29.09 69.49 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.125 -0.984 . . . . 0.0 110.062 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -78.27 -29.61 48.09 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.544 -0.722 . . . . 0.0 110.096 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -85.25 -30.48 23.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.579 -0.7 . . . . 0.0 110.126 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.83 -29.25 65.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.636 -0.665 . . . . 0.0 110.124 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.4 -28.56 26.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.613 -0.679 . . . . 0.0 110.227 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.2 mmm -77.57 -28.73 51.81 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.582 -0.699 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.8 -28.99 40.17 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.542 -0.724 . . . . 0.0 110.22 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -81.13 -28.63 35.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.532 -0.73 . . . . 0.0 110.247 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.1 t -74.49 -29.89 61.6 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.587 -0.696 . . . . 0.0 110.127 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.8 -31.5 23.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.613 -0.68 . . . . 0.0 110.19 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.15 -28.64 68.94 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.606 -0.684 . . . . 0.0 110.212 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.44 -29.27 66.94 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.609 -0.682 . . . . 0.0 110.221 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 ttt85 -65.91 -30.74 71.38 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.541 -0.724 . . . . 0.0 110.126 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.7 t80 . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.606 -0.684 . . . . 0.0 110.365 179.946 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.139 0.495 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.1 mtt -153.21 118.76 5.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.57 -0.706 . . . . 0.0 110.158 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -78.44 179.93 6.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.562 -0.711 . . . . 0.0 110.057 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p -70.29 -28.47 65.22 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.689 -0.632 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -73.51 -32.2 64.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.537 -0.727 . . . . 0.0 110.128 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.9 -46.65 64.96 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.596 -0.69 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.47 -29.16 70.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.636 -0.665 . . . . 0.0 110.098 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.67 -61.35 2.57 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.575 -0.703 . . . . 0.0 110.07 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.0 -29.94 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.55 -0.719 . . . . 0.0 109.744 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -68.43 -50.28 53.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.647 -0.658 . . . . 0.0 110.016 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.0 m -66.56 -29.17 69.19 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.579 -0.701 . . . . 0.0 110.023 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -80.66 -21.18 41.62 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.599 -0.688 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -45.05 65.52 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.402 -0.811 . . . . 0.0 109.684 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -65.93 -43.84 86.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.753 -0.592 . . . . 0.0 109.821 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.44 -26.11 67.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.655 -0.653 . . . . 0.0 110.041 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.499 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 41.2 t60 -96.48 38.88 1.18 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.549 -0.72 . . . . 0.0 110.068 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.3 tttt -124.24 33.56 5.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.386 -0.821 . . . . 0.0 110.649 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.61 -60.42 1.85 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.808 . . . . 0.0 110.214 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.15 64.89 0.64 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.564 -0.71 . . . . 0.0 110.202 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' CD2' ' CE1' ' A' ' 27' ' ' HIS . 16.6 m80 -145.38 60.56 6.95 Favored Pre-proline 0 N--CA 1.501 2.086 0 O-C-N 121.287 -0.883 . . . . 0.0 109.916 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.5 -50.12 0.25 Allowed 'Trans proline' 0 C--N 1.317 -1.131 0 O-C-N 123.248 1.131 . . . . 0.0 110.369 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -122.47 48.32 1.78 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.556 -0.715 . . . . 0.0 110.194 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 t -95.02 -20.58 19.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.676 -0.64 . . . . 0.0 110.734 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 p 52.26 42.17 30.72 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.371 -0.831 . . . . 0.0 110.805 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.89 69.2 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.58 -0.7 . . . . 0.0 110.349 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -58.88 -177.9 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.385 -0.822 . . . . 0.0 109.763 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -67.36 -42.74 82.96 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.22 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.86 68.74 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.182 -0.949 . . . . 0.0 110.535 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -15.82 58.95 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.021 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -113.38 -45.82 3.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 110.893 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.9 p -56.41 -24.0 42.07 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.533 -0.729 . . . . 0.0 110.216 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -76.22 -30.0 57.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.641 -0.662 . . . . 0.0 109.733 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -85.13 -43.11 14.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.575 -0.703 . . . . 0.0 110.196 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 50.8 m -61.31 -29.78 70.09 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.538 -0.726 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -69.98 -34.44 73.36 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.574 -0.704 . . . . 0.0 109.809 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.5 -28.55 69.92 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.624 -0.672 . . . . 0.0 110.017 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -93.05 -40.43 10.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.592 -0.692 . . . . 0.0 109.952 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -61.93 -45.36 94.03 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.589 -0.694 . . . . 0.0 109.817 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -67.23 -27.27 67.09 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.565 -0.709 . . . . 0.0 110.388 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -103.48 3.27 34.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.522 -0.736 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.0 mmm -69.03 141.6 54.79 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.126 -0.984 . . . . 0.0 110.166 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.0 m -66.65 153.21 43.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.537 -0.727 . . . . 0.0 110.266 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.93 67.95 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.652 -0.655 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -73.67 -28.37 61.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.582 -0.699 . . . . 0.0 110.161 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.47 -52.4 7.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.591 -0.693 . . . . 0.0 110.148 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -62.1 -18.69 61.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.563 -0.71 . . . . 0.0 110.815 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.8 p -55.79 -27.14 49.59 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.233 -0.917 . . . . 0.0 110.628 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -75.7 -29.45 58.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.567 -0.708 . . . . 0.0 110.081 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -85.08 -29.48 24.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.587 -0.696 . . . . 0.0 110.092 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -76.68 -29.57 56.38 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.626 -0.671 . . . . 0.0 110.137 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.26 -29.15 42.47 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.556 -0.715 . . . . 0.0 110.118 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.5 mtp -78.96 -30.2 44.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.601 -0.687 . . . . 0.0 110.096 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.8 46.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.648 -0.657 . . . . 0.0 110.1 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -73.25 -29.8 63.02 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 110.104 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.1 t -62.91 -35.83 81.35 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.576 -0.702 . . . . 0.0 110.048 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.1 -30.94 23.62 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.615 -0.678 . . . . 0.0 110.09 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -70.32 -33.57 71.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.569 -0.707 . . . . 0.0 110.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.3 -29.53 28.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.587 -0.696 . . . . 0.0 110.181 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -69.47 -28.54 66.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.52 -0.738 . . . . 0.0 110.182 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 26.7 t80 . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.591 -0.693 . . . . 0.0 110.157 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.071 0.462 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttm -160.85 -162.76 0.96 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.586 -0.697 . . . . 0.0 110.139 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 t -146.25 178.34 8.32 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.579 -0.7 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -70.45 -28.57 65.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.52 -0.738 . . . . 0.0 110.164 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -69.72 -28.4 65.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.555 -0.716 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.9 -31.42 56.72 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.552 -0.717 . . . . 0.0 110.113 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -82.74 -28.83 30.18 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.543 -0.723 . . . . 0.0 110.246 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -66.26 -38.63 88.29 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 0.0 110.141 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.9 t -80.27 -33.15 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.528 -0.733 . . . . 0.0 109.951 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -69.5 -29.14 66.71 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.551 -0.718 . . . . 0.0 110.198 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.8 m -84.26 -29.38 26.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.587 -0.696 . . . . 0.0 110.224 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 m -89.71 -29.37 18.79 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.605 -0.684 . . . . 0.0 110.188 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.83 -37.65 58.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.524 -0.735 . . . . 0.0 110.059 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -66.34 -33.62 76.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.603 -0.686 . . . . 0.0 110.06 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -88.96 -0.07 57.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.49 -0.757 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -86.4 -53.32 5.07 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.187 -0.946 . . . . 0.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -58.62 -28.3 65.51 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.601 -0.687 . . . . 0.0 110.467 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -62.49 -27.02 68.84 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.572 -0.705 . . . . 0.0 110.271 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 14.3 ptpt -128.54 16.88 6.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.487 -0.758 . . . . 0.0 111.137 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.43 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 59.5 m-70 -143.42 58.86 6.88 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.292 -0.88 . . . . 0.0 110.075 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.04 -30.33 10.93 Favored 'Trans proline' 0 C--N 1.316 -1.14 0 O-C-N 123.34 1.179 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -82.6 -44.96 15.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.595 -0.691 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 p -79.9 147.72 31.56 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.609 -0.682 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.9 t -92.17 -177.59 4.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.66 -0.65 . . . . 0.0 110.178 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.8 p -167.4 65.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.546 -0.721 . . . . 0.0 110.208 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -58.63 -174.34 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.495 -0.753 . . . . 0.0 109.594 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -72.62 -41.72 65.24 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.399 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.89 -44.13 70.36 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.208 -0.932 . . . . 0.0 110.944 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.95 -16.19 58.46 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.177 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -112.3 -43.39 3.53 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.889 . . . . 0.0 110.927 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.4 p -57.81 -21.39 41.89 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.533 -0.729 . . . . 0.0 110.077 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -87.87 -27.28 22.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.535 -0.728 . . . . 0.0 110.498 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -85.11 -38.23 19.33 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.56 -0.713 . . . . 0.0 110.745 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.9 p -59.72 -32.21 70.33 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.356 -0.84 . . . . 0.0 110.38 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -35.4 80.15 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.615 -0.678 . . . . 0.0 110.36 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.47 -30.12 70.4 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.457 -0.777 . . . . 0.0 109.986 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -94.63 -30.98 14.05 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.646 -0.659 . . . . 0.0 110.022 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -70.28 -47.07 62.85 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.684 -0.635 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -67.34 -27.27 66.99 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.568 -0.708 . . . . 0.0 110.31 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.5 p -85.59 -24.33 27.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.496 -0.752 . . . . 0.0 110.603 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.7 mmm -58.18 154.23 13.48 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.423 -0.798 . . . . 0.0 110.403 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.5 p -97.53 175.8 6.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.559 -0.713 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.12 -26.47 64.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.698 -0.626 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -68.83 -31.35 70.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.437 -0.789 . . . . 0.0 109.748 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -96.12 -42.28 8.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.651 -0.656 . . . . 0.0 109.78 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -61.23 -23.95 66.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.732 -0.605 . . . . 0.0 110.296 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.1 p -62.83 -30.78 71.75 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.47 -0.769 . . . . 0.0 110.207 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -61.98 -30.12 70.72 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.505 -0.747 . . . . 0.0 110.194 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -89.84 -28.9 18.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.621 -0.674 . . . . 0.0 110.188 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.89 -29.96 35.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.57 -0.706 . . . . 0.0 110.147 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -73.97 -28.75 61.64 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.599 -0.688 . . . . 0.0 110.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.2 mtm -83.92 -29.04 27.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.552 -0.717 . . . . 0.0 110.199 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.27 -38.09 43.5 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.61 -0.681 . . . . 0.0 110.145 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -66.15 -29.16 69.4 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.582 -0.699 . . . . 0.0 110.145 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 t -65.02 -53.76 40.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.5 -0.75 . . . . 0.0 110.153 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.88 -28.83 62.73 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.555 -0.715 . . . . 0.0 110.173 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -68.82 -28.63 66.92 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.527 -0.733 . . . . 0.0 110.228 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.74 -27.78 13.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.601 -0.687 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -60.51 -33.38 72.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.536 -0.728 . . . . 0.0 110.272 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.5 t80 . . . . . 0 N--CA 1.496 1.874 0 O-C-N 121.588 -0.695 . . . . 0.0 110.269 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.066 0.46 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.443 ' CB ' ' CE2' ' A' ' 18' ' ' PHE . 12.1 mtt -158.56 114.82 2.72 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.596 -0.69 . . . . 0.0 110.164 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -69.61 -178.98 1.58 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.583 -0.698 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.2 p -69.94 -29.1 66.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.542 -0.723 . . . . 0.0 110.161 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -75.81 -29.23 58.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.566 -0.708 . . . . 0.0 110.082 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.54 -30.53 52.83 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.601 -0.687 . . . . 0.0 110.03 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.443 ' CE2' ' CB ' ' A' ' 13' ' ' MET . 4.3 m-85 -76.89 -29.37 55.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.661 -0.649 . . . . 0.0 110.016 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.77 -54.5 38.11 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.541 -0.725 . . . . 0.0 110.139 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.2 -31.55 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.598 -0.689 . . . . 0.0 109.791 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -70.45 -47.83 58.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.709 . . . . 0.0 109.903 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.7 m -75.69 -29.62 59.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.521 -0.737 . . . . 0.0 110.006 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -72.44 -26.56 61.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.589 -0.694 . . . . 0.0 110.213 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -67.92 -46.49 71.39 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.573 -0.705 . . . . 0.0 109.576 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.32 -42.15 98.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.708 -0.62 . . . . 0.0 109.508 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.3 -24.15 67.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.72 -0.612 . . . . 0.0 109.919 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.49 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 46.1 t60 -96.1 37.6 1.23 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.502 -0.749 . . . . 0.0 109.964 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.0 tttt -127.33 40.5 3.69 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.25 -0.906 . . . . 0.0 110.535 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -125.86 -45.02 1.76 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.47 -0.769 . . . . 0.0 110.172 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.43 61.05 1.39 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.646 -0.659 . . . . 0.0 110.034 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 27' ' ' HIS . 17.5 m80 -144.99 53.58 2.09 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.355 -0.841 . . . . 0.0 109.828 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.04 -50.67 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 O-C-N 123.326 1.172 . . . . 0.0 110.532 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -91.49 -28.53 17.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.632 -0.668 . . . . 0.0 110.226 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 m -79.66 124.33 28.46 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.61 -0.681 . . . . 0.0 110.238 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.6 m -88.29 -178.6 5.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.609 -0.682 . . . . 0.0 110.043 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 p -167.69 60.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.582 -0.699 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -58.19 -175.13 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.31 -0.869 . . . . 0.0 109.678 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' SER . 98.6 m-85 -64.65 -60.58 2.95 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.419 -0.8 . . . . 0.0 111.071 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.78 -55.2 24.65 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.381 -0.824 . . . . 0.0 112.297 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -52.9 -24.36 9.04 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.218 -0.926 . . . . 0.0 110.3 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -104.01 -14.54 15.9 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.626 -0.671 . . . . 0.0 110.758 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' PHE . 13.5 p -79.04 -26.71 43.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.354 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -86.37 -26.44 24.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.708 -0.62 . . . . 0.0 110.189 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -83.62 -42.71 16.42 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.546 -0.722 . . . . 0.0 110.703 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -58.25 -33.05 68.94 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.39 -0.819 . . . . 0.0 110.505 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.7 p -65.11 -37.05 86.21 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.68 -0.638 . . . . 0.0 110.014 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -62.87 -32.12 73.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.63 -0.668 . . . . 0.0 109.981 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.28 -42.02 12.53 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.607 -0.683 . . . . 0.0 109.996 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -63.43 -32.84 74.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.595 -0.691 . . . . 0.0 110.026 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -77.29 -29.1 53.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.566 -0.709 . . . . 0.0 110.145 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -92.11 -17.63 24.69 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.592 -0.692 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.4 mmm -56.22 164.4 1.31 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.298 -0.876 . . . . 0.0 110.529 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -107.24 175.24 5.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.632 -0.668 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.91 -24.77 65.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.564 -0.71 . . . . 0.0 110.551 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -68.57 -30.57 69.36 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.379 -0.826 . . . . 0.0 109.901 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -96.22 -44.92 7.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.683 -0.635 . . . . 0.0 109.948 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -61.56 -23.24 65.84 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.693 -0.629 . . . . 0.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 p -67.51 -31.57 71.79 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.416 -0.803 . . . . 0.0 110.292 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.69 -29.11 69.61 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.465 -0.772 . . . . 0.0 110.184 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -86.74 -29.38 22.41 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.67 -0.644 . . . . 0.0 110.301 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -67.84 -29.41 68.54 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.615 -0.678 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.81 -28.28 44.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.572 -0.705 . . . . 0.0 110.284 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.5 mtt -70.05 -30.76 68.12 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.513 -0.742 . . . . 0.0 110.243 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.33 22.26 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.667 -0.646 . . . . 0.0 110.153 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -28.48 69.2 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.547 -0.72 . . . . 0.0 110.232 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 t -61.41 -46.72 88.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 0.0 110.186 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.97 -29.88 39.64 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.57 -0.706 . . . . 0.0 110.153 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -62.3 -28.84 70.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.582 -0.698 . . . . 0.0 110.148 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.83 -28.88 20.11 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.586 -0.696 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -78.9 -28.67 44.02 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.61 -0.681 . . . . 0.0 110.212 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.9 t80 . . . . . 0 N--CA 1.496 1.849 0 O-C-N 121.567 -0.708 . . . . 0.0 110.205 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 121.056 0.455 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -131.95 118.23 19.5 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.605 -0.684 . . . . 0.0 110.179 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t -91.07 179.09 5.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.563 -0.711 . . . . 0.0 110.245 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.1 p -69.06 -27.62 65.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.606 -0.684 . . . . 0.0 110.333 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -60.48 -28.35 68.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 110.229 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -29.42 51.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 110.169 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -82.63 -28.92 30.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.642 -0.661 . . . . 0.0 110.169 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 52.9 t80 -66.35 -56.14 12.56 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.28 -28.85 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.531 -0.731 . . . . 0.0 109.852 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -71.55 -47.69 53.37 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.606 -0.684 . . . . 0.0 110.149 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -65.27 -29.43 70.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.609 -0.682 . . . . 0.0 110.186 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.6 m -84.35 -27.99 27.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.532 -0.73 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.33 -39.05 65.55 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.608 -0.682 . . . . 0.0 110.125 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -61.94 -54.6 39.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.65 -0.656 . . . . 0.0 110.067 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.75 -28.77 68.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.605 -0.684 . . . . 0.0 110.198 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 38.5 t60 -69.5 -35.3 75.4 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.661 -0.649 . . . . 0.0 110.138 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -63.82 -58.67 6.1 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.608 -0.683 . . . . 0.0 110.39 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -58.68 -24.97 62.34 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.484 -0.76 . . . . 0.0 110.514 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HG2' ' NE2' ' A' ' 31' ' ' HIS . 1.4 tttm -91.81 -21.29 20.74 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.575 -0.703 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' NE2' ' HG2' ' A' ' 30' ' ' LYS . 91.3 m-70 -131.52 85.79 51.52 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 121.284 -0.885 . . . . 0.0 110.043 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.95 -29.4 10.22 Favored 'Trans proline' 0 C--N 1.317 -1.111 0 O-C-N 123.484 1.255 . . . . 0.0 110.789 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -124.0 73.08 1.2 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.483 -0.761 . . . . 0.0 110.492 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -160.32 134.79 7.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.562 -0.711 . . . . 0.0 110.125 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.8 p -81.75 131.95 35.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.58 -0.7 . . . . 0.0 110.022 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 p -144.07 66.8 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.642 -0.661 . . . . 0.0 110.43 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -59.98 -167.67 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.365 -0.834 . . . . 0.0 109.586 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -71.0 -41.08 71.42 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.886 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.18 -44.01 63.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.109 -0.995 . . . . 0.0 110.999 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.89 -16.65 52.33 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.081 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -112.57 -48.11 3.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.372 -0.83 . . . . 0.0 111.257 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.9 p -55.81 -24.08 33.95 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.336 -0.852 . . . . 0.0 110.392 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.75 -28.74 67.07 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.596 -0.69 . . . . 0.0 109.9 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -91.28 -46.39 8.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.534 -0.729 . . . . 0.0 110.3 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 68.9 m -61.17 -28.87 69.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.498 -0.751 . . . . 0.0 110.144 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 p -64.58 -40.53 95.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.55 -0.719 . . . . 0.0 110.004 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.42 -28.82 70.24 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.611 -0.681 . . . . 0.0 110.162 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -88.83 -43.82 10.94 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.526 -0.734 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.412 ' CH2' ' HB2' ' A' ' 57' ' ' LYS . 60.2 t-105 -61.07 -49.69 76.3 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.561 -0.712 . . . . 0.0 110.316 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -63.27 -26.11 68.63 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.609 -0.682 . . . . 0.0 110.523 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.5 p -89.72 -26.06 20.85 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.56 -0.713 . . . . 0.0 110.56 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.3 mmm -59.67 130.29 46.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.476 -0.765 . . . . 0.0 110.345 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.5 m -79.62 157.92 27.19 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.557 -0.714 . . . . 0.0 110.03 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.39 -26.67 8.23 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.489 -0.757 . . . . 0.0 110.908 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -73.34 -27.22 61.39 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.607 -0.683 . . . . 0.0 110.013 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -90.14 -35.54 15.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.51 -0.743 . . . . 0.0 110.221 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 51.3 pttt -95.63 28.68 2.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.521 -0.737 . . . . 0.0 110.543 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.4 p -79.79 -29.48 40.38 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.492 -0.755 . . . . 0.0 110.227 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -73.31 -29.51 62.75 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.524 -0.735 . . . . 0.0 110.115 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -81.59 -31.42 32.56 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.56 -0.713 . . . . 0.0 110.122 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -77.27 -28.63 53.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.621 -0.674 . . . . 0.0 110.239 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -78.7 -28.84 45.19 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.642 -0.661 . . . . 0.0 110.16 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.6 mmt -79.94 -29.67 39.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.637 -0.664 . . . . 0.0 110.158 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.27 -36.52 54.24 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.555 -0.716 . . . . 0.0 110.125 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -66.76 -28.97 68.83 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 t -61.28 -39.63 91.11 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.612 -0.68 . . . . 0.0 110.162 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.53 -28.63 20.65 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.634 -0.666 . . . . 0.0 110.199 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -66.72 -32.43 73.74 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.475 -0.766 . . . . 0.0 110.201 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.69 -28.99 36.55 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.518 -0.739 . . . . 0.0 110.153 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -63.12 -28.67 70.23 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.546 -0.722 . . . . 0.0 110.182 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.2 t80 . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.605 -0.684 . . . . 0.0 110.289 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.041 0.448 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.416 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 7.4 mmt -131.04 178.28 6.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.625 -0.672 . . . . 0.0 110.216 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -154.86 44.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.592 -0.693 . . . . 0.0 110.229 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p 67.23 -60.58 0.37 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.682 -0.636 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -60.67 -28.25 68.45 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.173 -0.955 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -29.42 61.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.465 -0.772 . . . . 0.0 110.179 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 13' ' ' MET . 3.8 m-85 -81.19 -28.76 34.82 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.528 -0.733 . . . . 0.0 110.15 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.04 -49.92 68.27 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.605 -0.684 . . . . 0.0 110.157 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.61 -28.53 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.587 -0.695 . . . . 0.0 109.926 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -74.35 -28.57 61.19 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.467 -0.771 . . . . 0.0 110.206 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 m -94.87 -27.82 15.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.621 -0.675 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 m -81.36 -28.28 34.52 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.546 -0.721 . . . . 0.0 110.284 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -73.65 -37.02 65.44 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.533 -0.729 . . . . 0.0 110.199 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.43 -50.67 64.56 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.528 -0.732 . . . . 0.0 110.153 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.76 -24.04 66.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.613 -0.679 . . . . 0.0 110.411 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -73.26 -40.6 64.49 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.473 -0.767 . . . . 0.0 110.41 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -69.55 -20.05 63.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.553 -0.717 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -78.09 -24.5 47.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.313 -0.867 . . . . 0.0 110.855 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 10.4 ptpt -118.17 17.81 13.91 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.335 -0.853 . . . . 0.0 111.241 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 60.7 m-70 -144.16 79.21 13.16 Favored Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 121.285 -0.885 . . . . 0.0 110.247 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.9 -42.51 0.77 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.404 1.213 . . . . 0.0 110.354 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -109.96 66.4 0.63 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.562 -0.711 . . . . 0.0 110.324 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -153.12 127.31 9.12 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.505 -0.747 . . . . 0.0 110.141 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.8 m -82.9 131.23 35.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.526 -0.734 . . . . 0.0 110.204 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 p -141.56 65.25 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.597 -0.69 . . . . 0.0 110.332 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.0 -170.01 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.435 -0.791 . . . . 0.0 109.688 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' SER . 84.3 m-85 -68.38 -43.71 76.75 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 119.454 -0.899 . . . . 0.0 110.755 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.13 -45.5 70.0 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.025 -1.047 . . . . 0.0 111.241 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.55 -16.6 49.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.389 -0.819 . . . . 0.0 110.284 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -112.41 -44.34 3.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 0.0 111.003 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 38' ' ' PHE . 88.6 p -56.63 -22.38 33.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.519 -0.738 . . . . 0.0 110.202 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -82.65 -25.02 33.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.522 -0.736 . . . . 0.0 110.505 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -84.66 -43.26 14.54 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.465 -0.772 . . . . 0.0 110.964 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -58.44 -29.15 65.93 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.359 -0.838 . . . . 0.0 110.431 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.3 p -67.1 -33.39 75.36 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.627 -0.671 . . . . 0.0 110.133 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.53 -33.88 71.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.51 -0.744 . . . . 0.0 110.077 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -28.2 19.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.647 -0.658 . . . . 0.0 110.095 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -74.78 -33.53 62.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.526 -0.734 . . . . 0.0 110.309 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -83.04 -27.91 29.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.461 -0.775 . . . . 0.0 110.414 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.6 p -81.48 -26.19 35.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.556 -0.715 . . . . 0.0 110.36 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 36.2 mtp -59.38 164.88 3.05 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.399 -0.813 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.4 t -100.86 175.83 5.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.586 -0.696 . . . . 0.0 110.278 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.73 -24.51 63.56 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.607 -0.683 . . . . 0.0 110.481 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.98 -31.44 71.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.479 -0.763 . . . . 0.0 109.832 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.93 -41.37 9.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.712 -0.618 . . . . 0.0 109.869 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -66.46 -21.23 66.19 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.725 -0.61 . . . . 0.0 110.434 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 p -73.18 -29.61 62.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.346 -0.846 . . . . 0.0 110.255 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -61.67 -29.19 69.92 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.587 -0.696 . . . . 0.0 110.093 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -83.25 -29.23 28.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.635 -0.665 . . . . 0.0 110.185 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.04 -28.95 57.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.57 -0.706 . . . . 0.0 110.216 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.05 -28.6 57.72 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.601 -0.687 . . . . 0.0 110.233 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.9 mmt -78.83 -29.47 44.72 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.499 -0.751 . . . . 0.0 110.182 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.28 52.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.567 -0.708 . . . . 0.0 110.169 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -67.18 -29.53 69.24 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.596 -0.69 . . . . 0.0 110.148 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 t -62.1 -38.56 89.35 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.59 -0.694 . . . . 0.0 110.081 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -85.48 -30.13 23.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.539 -0.726 . . . . 0.0 110.118 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -70.8 -33.2 70.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.576 -0.702 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.27 -28.12 56.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.608 -0.682 . . . . 0.0 110.258 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 -95.34 23.57 5.77 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.475 -0.765 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.398 -0.814 . . . . 0.0 110.531 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.035 0.445 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 39.9 mtt -139.45 -168.21 2.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.635 -0.666 . . . . 0.0 110.108 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -146.66 178.35 8.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.576 -0.702 . . . . 0.0 110.121 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.2 p -77.39 -28.49 52.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.538 -0.726 . . . . 0.0 110.212 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -75.86 -29.17 58.44 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.523 -0.736 . . . . 0.0 110.201 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.39 -38.76 63.03 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.566 -0.709 . . . . 0.0 110.102 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.17 -29.04 65.83 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.627 -0.67 . . . . 0.0 110.039 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -61.73 -58.46 7.93 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.0 110.058 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.44 -36.69 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.571 -0.706 . . . . 0.0 109.706 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -63.64 -44.72 93.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.52 -0.738 . . . . 0.0 109.961 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.3 m -78.08 -29.46 49.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.585 -0.697 . . . . 0.0 110.029 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.1 m -74.76 -27.48 60.36 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.505 -0.747 . . . . 0.0 110.155 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.32 -43.55 66.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.499 -0.751 . . . . 0.0 109.674 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -62.72 -43.29 99.18 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.692 -0.63 . . . . 0.0 109.74 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -25.38 67.43 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.735 -0.603 . . . . 0.0 110.055 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 56.2 t60 -95.4 37.39 1.19 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.497 -0.752 . . . . 0.0 109.901 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 41.41 3.48 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.233 -0.917 . . . . 0.0 110.503 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -127.05 -42.55 1.72 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.486 -0.759 . . . . 0.0 110.066 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.24 61.08 1.6 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.67 -0.644 . . . . 0.0 109.956 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 17.8 m80 -144.79 53.72 2.23 Favored Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.388 -0.82 . . . . 0.0 109.799 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.4 Cg_endo -72.86 -50.54 0.21 Allowed 'Trans proline' 0 C--N 1.316 -1.138 0 O-C-N 123.354 1.186 . . . . 0.0 110.504 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -84.81 -28.06 26.38 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.526 -0.734 . . . . 0.0 110.377 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -87.56 129.51 35.07 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 0.0 110.191 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.5 p -91.86 -173.21 3.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.548 -0.72 . . . . 0.0 109.931 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.2 p -167.31 65.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.51 -0.744 . . . . 0.0 110.503 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -60.61 179.84 0.15 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.363 -0.836 . . . . 0.0 109.701 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -68.74 -45.08 72.4 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.328 -0.858 . . . . 0.0 110.19 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.25 -41.95 69.46 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.276 -0.89 . . . . 0.0 110.494 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -63.4 -16.09 59.5 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.964 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -112.39 -45.84 3.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.0 p -55.95 -23.62 33.15 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.637 -0.664 . . . . 0.0 110.117 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -79.47 -30.16 41.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.512 -0.743 . . . . 0.0 109.676 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -85.31 -43.42 13.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.665 -0.647 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.1 m -60.91 -29.41 69.58 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.48 -0.762 . . . . 0.0 109.986 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.7 p -67.72 -34.65 77.28 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.534 -0.729 . . . . 0.0 109.796 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.07 -29.34 70.48 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.695 -0.628 . . . . 0.0 109.972 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.2 ttt-85 -91.96 -35.53 13.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.632 -0.667 . . . . 0.0 110.052 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.411 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 72.2 t-105 -66.9 -48.82 67.54 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.628 -0.67 . . . . 0.0 110.046 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -66.39 -26.97 67.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.541 -0.725 . . . . 0.0 110.478 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.1 p -89.24 -27.14 20.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.471 -0.768 . . . . 0.0 110.386 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 mtp -59.76 153.8 19.64 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.486 -0.759 . . . . 0.0 110.245 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.5 t -100.97 -178.34 3.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.523 -0.736 . . . . 0.0 110.347 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.16 -21.28 65.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.649 -0.657 . . . . 0.0 110.714 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -68.98 -29.47 67.68 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.356 -0.84 . . . . 0.0 109.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -102.66 -39.37 7.08 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.646 -0.659 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 35.2 mtmt -70.03 -18.9 63.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.704 -0.623 . . . . 0.0 110.568 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 p -60.02 -30.16 68.97 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.388 -0.82 . . . . 0.0 110.391 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -66.87 -28.92 68.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.627 -0.67 . . . . 0.0 110.255 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.17 -28.66 21.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.602 -0.686 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.5 -28.64 63.01 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.517 -0.739 . . . . 0.0 110.178 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.66 -28.36 36.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.589 -0.694 . . . . 0.0 110.19 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 61.3 mtp -76.56 -31.41 57.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.6 -0.688 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.04 -39.25 61.1 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.563 -0.711 . . . . 0.0 110.123 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -65.08 -29.59 70.48 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.643 -0.661 . . . . 0.0 110.118 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -61.8 -39.27 91.14 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.574 -0.704 . . . . 0.0 110.091 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -83.25 -29.32 28.53 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.616 -0.678 . . . . 0.0 110.15 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.62 -29.1 67.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.638 -0.664 . . . . 0.0 110.061 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.16 -25.08 39.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.6 -0.687 . . . . 0.0 110.392 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -58.59 -27.85 65.02 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.484 -0.76 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.496 1.853 0 O-C-N 121.538 -0.726 . . . . 0.0 110.109 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.058 0.456 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.417 ' HB2' ' CD2' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -106.4 20.95 18.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.54 -0.725 . . . . 0.0 110.751 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 t 44.66 -156.15 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.44 -0.788 . . . . 0.0 111.733 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p -100.57 -21.54 15.26 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.619 -0.676 . . . . 0.0 110.005 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -94.07 -34.14 13.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.44 -0.787 . . . . 0.0 110.402 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.81 -29.71 61.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.412 -0.805 . . . . 0.0 109.804 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' A' ' 13' ' ' MET . 0.1 OUTLIER -71.47 -28.83 64.21 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.586 -0.696 . . . . 0.0 109.667 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -61.17 -49.34 77.59 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.604 -0.685 . . . . 0.0 110.257 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.5 t -61.98 -28.48 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.533 -0.729 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -78.22 -29.42 48.31 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.492 -0.755 . . . . 0.0 110.206 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 m -88.27 -28.63 20.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.613 -0.679 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -83.31 -27.95 29.42 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.543 -0.723 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -71.93 -39.97 69.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.541 -0.724 . . . . 0.0 110.187 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.11 -55.66 29.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.588 -0.695 . . . . 0.0 110.164 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.16 -25.61 67.85 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.574 -0.704 . . . . 0.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 51.7 t60 -70.91 -38.97 72.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.534 -0.729 . . . . 0.0 110.354 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -70.18 -13.85 62.37 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.661 -0.649 . . . . 0.0 111.157 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -87.98 -23.42 23.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.252 -0.905 . . . . 0.0 110.956 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 25.0 pttt -118.01 18.03 14.0 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.417 -0.802 . . . . 0.0 111.293 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.43 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 59.0 m-70 -144.53 79.99 12.12 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.354 -0.841 . . . . 0.0 110.275 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.26 -47.92 0.23 Allowed 'Trans proline' 0 C--N 1.317 -1.115 0 O-C-N 123.392 1.207 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.89 62.1 0.99 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.63 -0.669 . . . . 0.0 110.237 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -158.42 125.96 5.07 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.567 -0.708 . . . . 0.0 110.286 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -81.9 162.24 22.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.659 -0.651 . . . . 0.0 110.176 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 p -166.61 65.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.605 -0.684 . . . . 0.0 110.365 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -59.59 -169.73 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.331 -0.855 . . . . 0.0 109.499 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -69.04 -41.9 77.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 0.0 110.815 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.08 -46.14 65.54 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.102 -0.999 . . . . 0.0 111.422 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -60.73 -17.15 46.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.311 -0.868 . . . . 0.0 110.341 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -111.61 -42.15 3.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.339 -0.85 . . . . 0.0 111.093 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.9 p -60.37 -18.52 50.8 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.478 -0.764 . . . . 0.0 110.289 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -89.21 -26.81 21.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.381 -0.824 . . . . 0.0 110.34 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -36.53 20.38 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.547 -0.721 . . . . 0.0 110.765 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -58.7 -27.51 64.93 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.36 -0.837 . . . . 0.0 110.414 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.2 p -67.5 -28.43 67.83 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.628 -0.67 . . . . 0.0 110.11 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.39 -28.11 61.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.565 -0.709 . . . . 0.0 110.188 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -94.52 -37.15 11.52 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.566 -0.709 . . . . 0.0 110.288 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -64.22 -47.37 79.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.614 -0.679 . . . . 0.0 110.252 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -64.55 -27.64 69.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.558 -0.714 . . . . 0.0 110.348 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.4 p -85.97 -27.87 24.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.504 -0.747 . . . . 0.0 110.312 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.9 mmm -60.79 137.7 58.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.507 -0.746 . . . . 0.0 110.284 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.9 m -88.61 163.56 15.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.59 -0.694 . . . . 0.0 110.146 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.55 -31.27 45.8 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.42 -0.8 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -74.38 -27.5 60.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.616 -0.677 . . . . 0.0 109.993 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.64 -36.09 16.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.566 -0.709 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.9 24.07 5.06 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.574 -0.703 . . . . 0.0 110.518 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.0 p -76.9 -29.49 55.76 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.493 -0.754 . . . . 0.0 109.971 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -67.92 -34.57 76.88 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.663 -0.648 . . . . 0.0 109.91 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -73.04 -42.69 62.88 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.697 -0.627 . . . . 0.0 109.893 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -69.84 -29.56 66.84 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.615 -0.678 . . . . 0.0 109.981 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.17 -29.41 38.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.594 -0.691 . . . . 0.0 110.092 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 33.7 mtp -76.5 -29.72 56.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.612 -0.68 . . . . 0.0 110.053 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.65 53.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.695 -0.628 . . . . 0.0 110.042 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -67.14 -31.05 71.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.531 -0.731 . . . . 0.0 110.028 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -63.74 -45.99 87.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.54 -0.725 . . . . 0.0 110.031 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.63 -28.94 33.42 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.656 -0.652 . . . . 0.0 110.15 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -30.92 66.68 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.55 -0.719 . . . . 0.0 110.178 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.61 -29.22 20.14 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.525 -0.734 . . . . 0.0 110.094 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -76.07 -26.29 56.37 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.574 -0.704 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.9 t80 . . . . . 0 N--CA 1.498 1.952 0 O-C-N 121.491 -0.756 . . . . 0.0 110.375 -179.982 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 121.208 0.528 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt 53.02 97.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.44 -0.787 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.3 t -61.67 -170.81 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.563 -0.71 . . . . 0.0 110.101 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.8 p -81.42 -29.26 33.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.605 -0.684 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.01 -28.27 69.39 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.642 -0.661 . . . . 0.0 110.165 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.93 -28.91 55.43 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.568 -0.707 . . . . 0.0 110.169 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -79.88 -28.62 39.92 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.577 -0.702 . . . . 0.0 110.231 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -66.09 -47.66 73.51 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.563 -0.711 . . . . 0.0 110.178 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -69.98 -28.44 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.547 -0.721 . . . . 0.0 109.954 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -45.48 27.04 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.52 -0.738 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.7 m -74.37 -27.97 60.9 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.537 -0.727 . . . . 0.0 110.233 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 m -80.24 -26.01 39.28 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.549 -0.72 . . . . 0.0 110.416 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -39.76 63.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.489 -0.757 . . . . 0.0 110.061 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.82 -53.04 61.39 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.72 -0.613 . . . . 0.0 110.015 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.82 -31.54 71.78 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.597 -0.69 . . . . 0.0 109.878 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -64.5 -32.89 74.71 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.675 -0.641 . . . . 0.0 110.101 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -62.75 -61.01 2.71 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.606 -0.684 . . . . 0.0 110.553 -179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -61.45 -22.17 64.8 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.568 -0.708 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 5.0 tttt -92.63 -22.08 19.67 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.455 -0.778 . . . . 0.0 109.711 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 90.0 m-70 -132.15 84.33 53.1 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.226 -0.921 . . . . 0.0 110.145 179.635 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.18 -43.3 0.75 Allowed 'Trans proline' 0 C--N 1.317 -1.094 0 O-C-N 123.471 1.248 . . . . 0.0 110.457 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -100.37 62.06 1.07 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.546 -0.721 . . . . 0.0 110.18 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.74 139.32 5.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.522 -0.736 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.2 p -88.55 175.01 7.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.617 -0.677 . . . . 0.0 110.129 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 p -167.63 68.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.539 -0.725 . . . . 0.0 110.226 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -58.94 -173.25 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.51 -0.744 . . . . 0.0 109.74 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -76.72 -41.27 45.81 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.79 -44.1 67.32 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.228 -0.92 . . . . 0.0 110.931 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.56 -16.7 57.52 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.619 -0.833 . . . . 0.0 110.13 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -111.83 -43.22 3.64 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.325 -0.859 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p -57.14 -21.98 36.68 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.465 -0.772 . . . . 0.0 110.076 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -86.89 -27.2 23.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.528 -0.733 . . . . 0.0 110.331 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -84.79 -39.26 18.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.512 -0.742 . . . . 0.0 110.798 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.2 p -58.53 -31.1 67.61 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.437 -0.79 . . . . 0.0 110.417 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.8 p -66.65 -31.76 72.65 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.668 -0.645 . . . . 0.0 110.033 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -65.85 -29.5 69.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.65 -0.656 . . . . 0.0 109.936 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 -100.73 -32.95 10.47 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.623 -0.673 . . . . 0.0 110.13 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -64.42 -33.15 75.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.499 -0.75 . . . . 0.0 110.063 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -78.25 -28.21 47.7 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.581 -0.699 . . . . 0.0 110.235 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.8 p -82.49 -29.8 30.29 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.544 -0.722 . . . . 0.0 110.209 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 72.6 mtp -61.72 159.46 13.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.551 -0.718 . . . . 0.0 110.157 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.8 p -117.74 -164.77 1.03 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.535 -0.728 . . . . 0.0 110.279 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.34 -20.47 63.86 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.624 -0.673 . . . . 0.0 110.631 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -69.89 -30.0 67.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.268 -0.895 . . . . 0.0 109.926 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -100.91 -39.74 7.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.609 -0.682 . . . . 0.0 110.011 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -67.81 -19.26 65.06 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.669 -0.645 . . . . 0.0 110.577 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 p -58.45 -32.06 68.37 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.303 -0.873 . . . . 0.0 110.477 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -72.62 -31.88 65.5 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.598 -0.689 . . . . 0.0 110.132 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -90.82 -28.75 17.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.569 -0.707 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -74.03 -29.09 61.75 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.543 -0.723 . . . . 0.0 110.116 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.24 -29.08 57.39 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.68 -0.637 . . . . 0.0 110.163 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.5 mmm -69.31 -35.03 75.55 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.605 -0.685 . . . . 0.0 110.076 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.74 -35.99 51.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.686 . . . . 0.0 110.061 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -67.79 -28.63 67.76 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -61.01 -47.05 88.25 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.577 -0.702 . . . . 0.0 110.056 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.95 -30.73 50.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.619 -0.676 . . . . 0.0 110.077 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -63.72 -29.32 70.56 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.542 -0.724 . . . . 0.0 110.157 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.53 -28.67 24.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.601 -0.687 . . . . 0.0 110.193 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -95.71 24.32 5.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.507 -0.746 . . . . 0.0 110.454 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.3 t80 . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.446 -0.784 . . . . 0.0 110.206 179.936 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HE3' ' CG ' ' A' ' 71' ' ' TYR . 18.0 mttp . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.124 0.488 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.6 mtt -139.59 114.97 9.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.509 -0.744 . . . . 0.0 110.204 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 t -84.63 177.46 8.05 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.564 -0.71 . . . . 0.0 110.169 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.2 p -69.29 -28.94 66.73 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.604 -0.685 . . . . 0.0 110.187 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -66.32 -29.05 69.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.469 -0.77 . . . . 0.0 110.142 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.08 -29.86 39.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.585 -0.697 . . . . 0.0 110.126 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -79.6 -29.0 41.0 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.619 -0.676 . . . . 0.0 110.097 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.11 -52.15 63.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.58 -0.7 . . . . 0.0 110.065 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.94 -29.42 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.599 -0.688 . . . . 0.0 109.862 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -69.75 -34.22 73.51 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.622 -0.674 . . . . 0.0 110.056 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -84.64 -29.61 25.58 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.637 -0.664 . . . . 0.0 110.09 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 m -79.61 -29.52 41.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.704 -0.622 . . . . 0.0 110.133 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -35.44 73.68 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.614 -0.679 . . . . 0.0 109.986 179.824 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -67.14 -33.62 75.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.633 -0.667 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -95.14 22.51 6.62 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.496 -0.753 . . . . 0.0 110.535 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -105.01 -48.75 3.65 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.404 -0.81 . . . . 0.0 110.066 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -59.24 -27.44 65.78 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.622 -0.673 . . . . 0.0 110.413 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -60.01 -27.25 66.73 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.539 -0.725 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 11.8 ptpt -132.4 19.59 4.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.474 -0.766 . . . . 0.0 110.969 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 69.6 m-70 -144.13 62.32 10.16 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.374 -0.829 . . . . 0.0 110.025 179.443 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.54 -40.78 1.95 Allowed 'Trans proline' 0 C--N 1.318 -1.065 0 O-C-N 123.328 1.173 . . . . 0.0 110.485 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -99.62 39.01 1.35 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.612 -0.68 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 t -114.24 140.27 48.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.592 -0.693 . . . . 0.0 110.166 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 t -98.55 88.4 4.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.535 -0.728 . . . . 0.0 110.243 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.74 92.34 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.561 -0.712 . . . . 0.0 110.244 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 39' ' ' ALA . 18.3 p30 -93.68 48.12 1.27 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.616 -0.677 . . . . 0.0 109.282 178.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 59.48 -77.28 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 O-C-N 122.194 -0.316 . . . . 0.0 111.219 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -45.42 -45.23 12.69 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.452 -0.78 . . . . 0.0 112.532 -178.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -58.25 -21.34 47.96 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.246 -0.909 . . . . 0.0 109.938 179.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -109.8 -33.75 6.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.583 -0.698 . . . . 0.0 109.985 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 p -61.1 -22.16 64.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.717 -0.614 . . . . 0.0 109.874 179.391 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -84.63 -24.75 28.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.501 -0.749 . . . . 0.0 110.375 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -84.79 -41.92 15.66 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.527 -0.733 . . . . 0.0 110.802 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.3 p -58.94 -28.03 65.88 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.395 -0.816 . . . . 0.0 110.467 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -71.55 -31.41 66.98 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.545 -0.722 . . . . 0.0 110.088 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -70.63 -34.81 72.49 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.549 -0.719 . . . . 0.0 109.95 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.64 -37.53 16.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.658 -0.651 . . . . 0.0 110.068 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -62.85 -49.31 75.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.618 -0.676 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -65.27 -26.15 67.96 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.595 -0.691 . . . . 0.0 110.549 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.7 p -90.04 -22.18 21.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.504 -0.748 . . . . 0.0 110.713 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.3 mmm -57.85 143.57 41.96 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.314 -0.866 . . . . 0.0 110.399 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.3 m -83.99 162.2 20.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.469 -0.769 . . . . 0.0 110.206 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.58 -29.8 64.75 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.496 -0.753 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -75.93 -29.05 58.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.532 -0.73 . . . . 0.0 109.982 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -86.51 -34.59 19.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.563 -0.71 . . . . 0.0 110.142 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 26.98 3.77 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.514 -0.741 . . . . 0.0 110.46 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 p -85.48 -30.97 23.05 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.546 -0.721 . . . . 0.0 110.161 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -69.1 -30.03 68.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.55 -0.719 . . . . 0.0 110.091 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -84.4 -34.61 23.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.517 -0.739 . . . . 0.0 110.124 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.02 -29.4 64.15 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.578 -0.701 . . . . 0.0 110.142 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -80.32 -28.66 38.15 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.55 -0.719 . . . . 0.0 110.241 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.5 mmm -74.08 -29.83 62.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.519 -0.738 . . . . 0.0 110.082 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.68 -29.06 27.9 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.525 -0.734 . . . . 0.0 110.137 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -28.61 64.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.548 -0.72 . . . . 0.0 110.205 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.1 t -73.19 -29.82 63.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.584 -0.697 . . . . 0.0 110.163 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -84.72 -31.21 24.18 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.628 -0.67 . . . . 0.0 110.155 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -29.23 70.62 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.615 -0.678 . . . . 0.0 110.224 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.95 -28.5 49.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.652 -0.655 . . . . 0.0 110.229 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -61.98 -29.01 69.96 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.519 -0.738 . . . . 0.0 110.139 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.418 ' CG ' ' HE3' ' A' ' 12' ' ' LYS . 30.9 t80 . . . . . 0 N--CA 1.494 1.73 0 O-C-N 121.649 -0.657 . . . . 0.0 110.312 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.106 0.479 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -126.26 -169.31 1.99 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.61 -0.681 . . . . 0.0 110.164 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.7 t -154.82 167.3 30.72 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.602 -0.686 . . . . 0.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.4 p -72.55 -28.33 62.76 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.631 -0.668 . . . . 0.0 110.207 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -75.74 -29.13 58.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.578 -0.701 . . . . 0.0 110.166 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.62 59.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.587 -0.695 . . . . 0.0 110.163 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -78.12 -29.19 48.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.549 -0.719 . . . . 0.0 110.09 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -61.87 -47.73 83.7 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.543 -0.723 . . . . 0.0 110.059 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.9 t -72.84 -30.02 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.597 -0.689 . . . . 0.0 109.85 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -71.77 -29.0 64.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.531 -0.73 . . . . 0.0 110.197 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.8 m -94.55 -28.47 15.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.64 -0.662 . . . . 0.0 110.167 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.2 m -83.43 -35.19 25.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.501 -0.749 . . . . 0.0 110.2 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -70.99 -35.38 72.08 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.548 -0.72 . . . . 0.0 109.987 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.78 -37.75 79.92 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.476 -0.765 . . . . 0.0 109.812 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -94.62 19.77 9.43 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.636 -0.665 . . . . 0.0 110.206 179.26 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -105.1 -52.82 2.77 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.43 -0.794 . . . . 0.0 110.078 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -60.62 -32.49 71.63 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.533 -0.729 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -61.58 -25.42 67.32 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.596 -0.69 . . . . 0.0 110.426 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 2.3 ptmt -124.79 15.49 8.67 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.468 -0.77 . . . . 0.0 111.16 -179.729 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 50.5 m-70 -143.04 67.56 17.38 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.183 -0.948 . . . . 0.0 110.168 179.35 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.99 -35.98 4.83 Favored 'Trans proline' 0 C--N 1.318 -1.027 0 O-C-N 123.241 1.127 . . . . 0.0 110.406 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.99 -33.37 33.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.642 -0.662 . . . . 0.0 110.16 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -89.01 138.55 31.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.547 -0.72 . . . . 0.0 110.104 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 m -99.55 -169.55 1.77 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.605 -0.684 . . . . 0.0 110.324 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' A' ' 41' ' ' PHE . 10.7 p -163.65 71.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.633 -0.667 . . . . 0.0 109.927 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' ALA . 7.1 p-10 -76.4 60.63 1.59 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.494 -0.754 . . . . 0.0 110.888 -179.501 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 59.55 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.779 -0.575 . . . . 0.0 111.6 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -46.66 -49.16 19.65 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.177 -0.952 . . . . 0.0 112.245 -178.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -55.21 -23.41 22.01 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.28 -0.888 . . . . 0.0 109.6 178.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.407 ' HB2' ' CG2' ' A' ' 36' ' ' VAL . 2.8 t80 -101.59 -34.48 9.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.534 0.683 . . . . 0.0 109.83 179.247 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 p -57.79 -21.93 44.55 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.889 -0.507 . . . . 0.0 110.25 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -90.95 -24.82 20.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.641 -0.662 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -89.99 -46.91 8.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.436 -0.79 . . . . 0.0 110.989 -179.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -57.92 -27.63 63.53 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.379 -0.825 . . . . 0.0 110.597 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.0 p -70.19 -35.27 73.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.532 -0.73 . . . . 0.0 110.091 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.57 -33.36 75.42 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.537 -0.727 . . . . 0.0 110.101 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -86.49 -44.03 12.3 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.672 -0.642 . . . . 0.0 110.236 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -60.81 -34.62 74.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.555 -0.716 . . . . 0.0 110.13 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -78.21 -24.61 47.0 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.582 -0.699 . . . . 0.0 110.586 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.9 p -100.57 -13.61 18.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.409 -0.807 . . . . 0.0 111.165 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.79 153.59 13.52 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.261 -0.899 . . . . 0.0 110.462 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 p -92.58 176.65 6.38 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.552 -0.717 . . . . 0.0 110.276 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.51 -26.16 66.2 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.62 -0.675 . . . . 0.0 110.348 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -69.54 -29.67 67.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.45 -0.781 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -94.15 -52.0 4.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.602 -0.686 . . . . 0.0 110.081 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -56.06 -24.27 38.74 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.461 -0.774 . . . . 0.0 110.585 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.1 p -66.04 -28.04 68.55 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.501 -0.749 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -69.44 -28.58 66.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.628 -0.67 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -90.92 -28.12 18.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.579 -0.701 . . . . 0.0 110.311 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -69.75 -27.74 65.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.503 -0.748 . . . . 0.0 110.284 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -81.42 -30.43 33.54 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.531 -0.73 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.76 -31.16 66.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.502 -0.749 . . . . 0.0 110.104 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.13 -42.39 32.0 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.541 -0.724 . . . . 0.0 110.204 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -64.29 -28.82 69.98 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.584 -0.697 . . . . 0.0 110.227 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 t -65.39 -38.56 90.36 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.483 -0.76 . . . . 0.0 110.178 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -89.62 -28.5 19.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.532 -0.73 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -70.83 -28.57 64.71 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.567 -0.708 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.55 -23.96 29.49 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.516 -0.74 . . . . 0.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -58.26 -35.23 71.44 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.367 -0.833 . . . . 0.0 110.523 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.495 1.817 0 O-C-N 121.548 -0.72 . . . . 0.0 110.367 -179.978 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.058 0.456 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -129.94 -167.81 1.86 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.558 -0.714 . . . . 0.0 110.165 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.5 t -149.97 178.11 9.23 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.521 -0.737 . . . . 0.0 110.215 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.9 p -62.35 -29.25 70.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.551 -0.718 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -81.59 -28.57 33.72 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.519 -0.738 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.82 -30.99 40.63 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.487 -0.758 . . . . 0.0 110.196 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.82 -29.82 61.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.56 -0.712 . . . . 0.0 110.121 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.45 -46.46 76.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.595 -0.691 . . . . 0.0 110.102 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -67.92 -30.65 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.628 -0.67 . . . . 0.0 109.846 179.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -65.37 -30.2 71.01 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.609 -0.682 . . . . 0.0 110.01 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -84.45 -29.17 26.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.609 -0.682 . . . . 0.0 110.14 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.5 m -84.66 -28.82 26.16 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.611 -0.681 . . . . 0.0 110.213 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -36.26 69.7 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.627 -0.671 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -69.12 -50.56 46.91 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.666 -0.646 . . . . 0.0 110.0 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -60.81 -25.94 66.95 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.585 -0.697 . . . . 0.0 110.196 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.414 ' CD2' HG12 ' A' ' 36' ' ' VAL . 40.0 t60 -63.21 -27.86 69.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.498 -0.751 . . . . 0.0 110.242 179.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -81.27 59.11 3.82 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.548 -0.72 . . . . 0.0 110.217 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -157.3 -44.18 0.07 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.611 -0.68 . . . . 0.0 109.846 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -118.81 27.74 8.71 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.702 -0.624 . . . . 0.0 110.392 179.651 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.443 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 87.0 m-70 -147.13 68.52 11.39 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.608 -0.682 . . . . 0.0 110.074 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.78 -48.74 0.28 Allowed 'Trans proline' 0 C--N 1.317 -1.126 0 O-C-N 123.297 1.156 . . . . 0.0 110.413 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -91.86 52.98 2.1 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.631 -0.668 . . . . 0.0 110.203 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.2 m -148.85 120.05 7.78 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.552 -0.718 . . . . 0.0 110.223 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -95.38 95.63 8.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.598 -0.689 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.428 ' CG2' ' CD1' ' A' ' 41' ' ' PHE . 12.7 p -85.82 146.72 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.578 -0.701 . . . . 0.0 110.345 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -123.18 -153.33 0.55 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.8 -52.5 3.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.36 -0.838 . . . . 0.0 110.031 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.74 -57.94 3.91 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.741 -0.6 . . . . 0.0 111.27 -179.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.49 -23.39 16.1 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.207 -0.933 . . . . 0.0 109.518 179.134 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CD1' ' CG2' ' A' ' 36' ' ' VAL . 56.8 t80 -96.17 -19.91 19.0 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 121.64 -0.663 . . . . 0.0 110.386 178.496 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -32.5 74.19 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.307 -0.87 . . . . 0.0 109.432 179.472 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -68.01 -20.31 65.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.853 -0.53 . . . . 0.0 110.716 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -84.39 -53.79 5.21 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.335 -0.853 . . . . 0.0 110.587 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -60.07 -29.04 68.29 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.545 -0.722 . . . . 0.0 110.438 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.9 p -63.11 -32.56 73.97 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.536 -0.727 . . . . 0.0 110.159 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.69 -30.37 70.6 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.546 -0.721 . . . . 0.0 110.086 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -92.68 -29.03 16.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.645 -0.66 . . . . 0.0 110.188 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -72.5 -52.34 16.16 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.52 -0.737 . . . . 0.0 110.089 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -63.03 -27.38 69.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.695 -0.628 . . . . 0.0 110.403 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.4 p -82.2 -29.45 31.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.528 -0.732 . . . . 0.0 110.268 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.5 mtp -61.6 165.32 5.09 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.541 -0.724 . . . . 0.0 110.171 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -108.16 -174.41 2.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.569 -0.707 . . . . 0.0 110.32 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.8 -21.91 62.42 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.63 -0.668 . . . . 0.0 110.586 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -68.62 -30.39 69.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.385 -0.822 . . . . 0.0 109.883 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -98.84 -41.14 7.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.655 -0.653 . . . . 0.0 109.949 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -65.01 -21.58 66.87 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.63 -0.669 . . . . 0.0 110.512 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 p -67.42 -31.23 71.29 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.424 -0.797 . . . . 0.0 110.336 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -66.15 -28.94 69.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.567 -0.708 . . . . 0.0 110.173 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -91.44 -28.47 17.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.588 -0.695 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -79.26 -28.51 42.37 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.591 -0.693 . . . . 0.0 110.248 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.16 -28.68 42.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.595 -0.69 . . . . 0.0 110.254 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.9 mmt -82.81 -28.84 29.96 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.551 -0.718 . . . . 0.0 110.126 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.88 -45.82 40.35 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.562 -0.711 . . . . 0.0 110.168 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -69.21 -28.32 66.26 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.629 -0.669 . . . . 0.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -28.82 69.39 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.551 -0.718 . . . . 0.0 110.172 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -102.83 -29.9 11.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.565 -0.709 . . . . 0.0 110.172 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -68.1 -30.56 69.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.636 -0.665 . . . . 0.0 110.227 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.66 -28.76 63.96 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.565 -0.709 . . . . 0.0 110.178 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -65.92 -28.95 69.3 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.621 -0.675 . . . . 0.0 110.152 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.496 1.86 0 O-C-N 121.474 -0.766 . . . . 0.0 110.141 179.995 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 121.079 0.466 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.9 mtt -132.27 -170.94 2.52 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.661 -0.65 . . . . 0.0 110.235 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 t -153.56 178.7 9.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.555 -0.715 . . . . 0.0 110.214 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.6 p -68.65 -28.7 67.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.58 -0.7 . . . . 0.0 110.19 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -77.49 -28.71 52.28 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.599 -0.688 . . . . 0.0 110.132 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.07 -31.9 50.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.532 -0.73 . . . . 0.0 110.188 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.69 -28.96 33.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.607 -0.683 . . . . 0.0 110.147 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.69 -41.9 95.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.658 -0.652 . . . . 0.0 110.169 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.15 -29.8 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.633 -0.667 . . . . 0.0 109.919 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.36 -46.11 28.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.706 . . . . 0.0 110.179 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.8 m -66.3 -27.75 68.16 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.535 -0.728 . . . . 0.0 110.253 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -86.05 -28.33 24.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.529 -0.732 . . . . 0.0 110.382 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -39.11 63.72 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.604 -0.685 . . . . 0.0 110.115 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.16 -41.08 97.96 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.536 -0.727 . . . . 0.0 109.926 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.32 -17.56 56.4 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.628 -0.67 . . . . 0.0 110.709 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -64.62 -47.8 77.26 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.343 -0.848 . . . . 0.0 110.292 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -60.24 -27.78 67.5 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -64.29 -27.25 68.91 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.509 -0.745 . . . . 0.0 110.404 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -125.26 17.46 8.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.531 -0.731 . . . . 0.0 110.964 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 80.1 m-70 -145.79 66.47 11.85 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.314 -0.866 . . . . 0.0 110.005 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.83 -31.13 10.6 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 O-C-N 123.261 1.137 . . . . 0.0 110.498 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -104.77 53.08 0.73 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.53 -0.732 . . . . 0.0 110.337 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 t -168.39 134.94 1.95 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.508 -0.745 . . . . 0.0 110.389 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.8 t -89.43 179.97 5.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.605 -0.684 . . . . 0.0 109.932 179.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.9 p -168.13 89.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.466 -0.771 . . . . 0.0 110.712 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -70.95 -168.2 0.26 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.348 -0.845 . . . . 0.0 109.459 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -80.79 -48.3 12.67 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.361 -0.837 . . . . 0.0 110.202 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.49 -40.42 73.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.267 -0.895 . . . . 0.0 110.618 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -63.26 -16.35 59.99 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.066 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -114.41 -46.13 2.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.313 -0.867 . . . . 0.0 110.752 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.0 p -55.05 -24.13 23.48 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.518 -0.739 . . . . 0.0 110.138 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -30.48 64.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.584 -0.697 . . . . 0.0 109.563 179.205 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.22 -39.08 16.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.636 -0.665 . . . . 0.0 110.165 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.9 m -61.59 -29.1 69.82 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.489 -0.757 . . . . 0.0 110.015 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.3 p -66.18 -31.84 72.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.535 -0.728 . . . . 0.0 110.022 179.663 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -67.29 -29.3 68.86 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.637 -0.664 . . . . 0.0 110.0 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -91.07 -42.61 10.4 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.567 -0.708 . . . . 0.0 109.997 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.412 ' CH2' ' HG2' ' A' ' 57' ' ' LYS . 75.8 t-105 -64.51 -28.49 69.69 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.562 -0.711 . . . . 0.0 110.113 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -75.09 -24.23 58.1 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.552 -0.718 . . . . 0.0 110.544 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -102.29 -21.43 14.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.495 -0.753 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 58.2 mtp -56.66 146.63 24.92 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.8 p -93.69 -177.11 4.27 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.608 -0.683 . . . . 0.0 110.417 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.48 -22.85 62.62 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.663 -0.648 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -67.31 -30.57 70.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.355 -0.841 . . . . 0.0 109.773 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -98.34 -43.07 7.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.744 -0.598 . . . . 0.0 109.905 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 30.8 mtpt -65.88 -21.8 66.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.599 -0.688 . . . . 0.0 110.343 179.696 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 p -63.1 -31.62 72.81 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.392 -0.817 . . . . 0.0 110.306 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -64.26 -29.62 70.71 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.572 -0.705 . . . . 0.0 110.189 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -91.14 -28.67 17.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.524 -0.735 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.79 -28.68 62.73 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.526 -0.734 . . . . 0.0 110.236 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.03 -28.72 57.82 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.582 -0.698 . . . . 0.0 110.149 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.8 mtt -80.74 -28.72 36.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.509 -0.745 . . . . 0.0 110.156 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.75 -32.13 46.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.557 -0.715 . . . . 0.0 110.142 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -75.19 -29.07 60.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 0.0 110.157 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.6 t -70.74 -30.12 66.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.616 -0.677 . . . . 0.0 110.019 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -84.16 -29.43 26.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.599 -0.688 . . . . 0.0 110.103 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -70.64 -32.46 69.78 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.604 -0.685 . . . . 0.0 110.096 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.68 -31.43 24.13 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.562 -0.711 . . . . 0.0 110.135 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -65.86 -23.13 66.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.6 -0.688 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 N--CA 1.499 2.012 0 O-C-N 121.473 -0.767 . . . . 0.0 110.53 -179.94 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.088 0.47 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.417 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -147.28 113.43 5.85 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.588 -0.695 . . . . 0.0 110.34 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.1 t -72.0 178.56 3.69 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.479 -0.763 . . . . 0.0 110.17 -179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.6 p -63.53 -31.4 72.55 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.666 -0.646 . . . . 0.0 110.179 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -64.6 -28.99 70.0 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.574 -0.704 . . . . 0.0 110.201 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.52 -29.69 59.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.601 -0.687 . . . . 0.0 110.065 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.417 ' CE2' ' HG3' ' A' ' 13' ' ' MET . 11.1 m-85 -79.58 -28.79 41.1 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.579 -0.701 . . . . 0.0 110.218 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -64.09 -47.26 80.73 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.558 -0.714 . . . . 0.0 110.172 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.33 -28.87 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.581 -0.699 . . . . 0.0 110.097 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -77.01 -34.9 57.37 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.513 -0.742 . . . . 0.0 110.235 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.0 m -83.8 -29.15 27.6 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.559 -0.713 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.3 m -83.22 -30.25 27.87 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.586 -0.696 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -62.74 -43.79 97.89 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.546 -0.721 . . . . 0.0 110.06 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -65.57 -32.0 73.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.551 -0.718 . . . . 0.0 109.998 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -95.99 25.06 5.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.613 -0.679 . . . . 0.0 110.31 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -105.13 -45.68 4.45 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.455 -0.778 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.31 -27.01 66.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.591 -0.693 . . . . 0.0 110.404 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -60.92 -26.39 67.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.589 -0.695 . . . . 0.0 110.515 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 1.3 ptmt -132.8 20.95 4.19 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.472 -0.767 . . . . 0.0 110.983 -179.848 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 80.9 m-70 -145.05 63.69 10.32 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.335 -0.853 . . . . 0.0 110.138 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.04 -37.43 3.51 Favored 'Trans proline' 0 C--N 1.318 -1.063 0 O-C-N 123.353 1.186 . . . . 0.0 110.311 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -83.73 -31.08 26.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.642 -0.662 . . . . 0.0 110.16 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.8 t -90.54 132.37 35.74 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.65 -0.656 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p -95.76 -167.48 1.61 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.585 -0.697 . . . . 0.0 110.167 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.401 ' CG2' ' HB2' ' A' ' 41' ' ' PHE . 10.1 p -166.46 103.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.627 -0.67 . . . . 0.0 110.082 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -105.79 51.56 0.75 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.303 -0.873 . . . . 0.0 110.573 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 65.44 -62.78 0.22 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.866 -0.521 . . . . 0.0 111.287 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.13 90.83 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.043 -1.035 . . . . 0.0 111.049 -178.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.67 -18.38 41.67 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.412 -0.805 . . . . 0.0 110.017 179.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' HB2' ' CG2' ' A' ' 36' ' ' VAL . 2.1 t80 -107.2 -46.0 3.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.464 -0.773 . . . . 0.0 110.745 -179.775 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.2 p -55.22 -25.4 32.91 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.703 -0.623 . . . . 0.0 110.386 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -83.6 -28.42 28.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.568 -0.708 . . . . 0.0 109.961 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.94 -45.22 8.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.556 -0.715 . . . . 0.0 110.4 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.6 m -59.61 -25.69 64.85 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.637 -0.665 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.8 p -69.4 -37.59 77.55 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.495 -0.753 . . . . 0.0 109.724 179.421 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.6 -42.03 95.84 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.638 -0.663 . . . . 0.0 109.685 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -78.42 -39.29 39.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.679 -0.638 . . . . 0.0 109.769 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.418 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 72.5 t-105 -62.09 -51.3 68.5 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.575 -0.703 . . . . 0.0 109.63 179.607 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -61.95 -25.43 67.59 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.588 -0.695 . . . . 0.0 110.418 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -97.66 -12.52 22.31 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.471 -0.768 . . . . 0.0 110.991 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 mmm -56.92 170.86 0.39 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.229 -0.92 . . . . 0.0 110.558 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -102.98 166.08 10.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.575 -0.703 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.98 -18.5 65.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.671 -0.643 . . . . 0.0 110.783 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -73.25 -29.9 63.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.33 -0.856 . . . . 0.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -98.97 -37.14 9.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.667 -0.646 . . . . 0.0 110.102 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.418 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 27.1 mtmt -71.58 -21.91 61.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.628 -0.67 . . . . 0.0 110.457 179.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.9 p -69.84 -29.3 66.52 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.429 -0.794 . . . . 0.0 110.388 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -66.45 -28.65 68.76 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.568 -0.708 . . . . 0.0 110.245 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -93.76 -28.51 15.88 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.541 -0.725 . . . . 0.0 110.341 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -71.7 -27.96 63.38 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.498 -0.751 . . . . 0.0 110.337 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.5 -27.57 46.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.54 -0.725 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 50.3 mtt -82.19 -27.68 32.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.572 -0.705 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.93 -28.16 39.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.563 -0.71 . . . . 0.0 110.352 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -72.78 -28.05 62.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.412 -0.805 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -61.62 -54.54 41.59 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.516 -0.74 . . . . 0.0 110.247 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.85 -31.89 72.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.62 -0.675 . . . . 0.0 110.356 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -64.91 -28.11 69.31 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.563 -0.711 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.95 -28.41 14.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.62 -0.675 . . . . 0.0 110.351 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -79.32 -27.45 42.1 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.608 -0.682 . . . . 0.0 110.345 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.6 t80 . . . . . 0 N--CA 1.497 1.899 0 O-C-N 121.53 -0.731 . . . . 0.0 110.283 -179.969 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mttp . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.083 0.468 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 mmt -103.83 -166.34 1.25 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.547 -0.721 . . . . 0.0 110.086 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -157.45 179.24 9.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.583 -0.698 . . . . 0.0 110.124 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.6 p -58.76 -27.59 65.11 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.586 -0.696 . . . . 0.0 110.482 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -79.25 -28.94 42.41 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.641 -0.662 . . . . 0.0 110.216 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.08 -36.8 34.99 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.587 -0.695 . . . . 0.0 110.276 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -70.27 -29.25 65.98 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.502 -0.749 . . . . 0.0 110.071 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -62.87 -45.5 92.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.576 -0.702 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -76.99 -34.04 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.527 -0.733 . . . . 0.0 109.918 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -67.99 -37.44 81.48 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.59 -0.694 . . . . 0.0 110.117 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.1 m -81.34 -28.72 34.39 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.604 -0.685 . . . . 0.0 110.145 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.7 m -79.57 -25.43 41.6 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.582 -0.699 . . . . 0.0 110.375 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -75.6 -46.94 28.85 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.549 -0.72 . . . . 0.0 109.977 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -59.47 -26.91 65.64 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.545 -0.722 . . . . 0.0 110.43 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -87.96 -24.75 23.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.588 -0.695 . . . . 0.0 110.342 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -66.73 -46.75 74.46 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.419 -0.801 . . . . 0.0 110.191 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -61.31 -30.08 70.27 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.59 -0.694 . . . . 0.0 110.496 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -60.8 -27.09 67.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.574 -0.704 . . . . 0.0 110.41 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -125.98 17.87 7.87 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.478 -0.764 . . . . 0.0 111.02 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.414 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 79.7 m-70 -145.22 74.51 14.17 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.311 -0.868 . . . . 0.0 110.109 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.9 -38.67 2.8 Favored 'Trans proline' 0 C--N 1.316 -1.154 0 O-C-N 123.321 1.169 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.66 48.75 0.9 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.564 -0.71 . . . . 0.0 110.224 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.67 106.84 0.98 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.512 -0.743 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 m -74.22 -168.52 0.65 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.579 -0.701 . . . . 0.0 110.191 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -168.11 91.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.634 -0.666 . . . . 0.0 110.798 -179.433 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -63.64 144.69 56.81 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.18 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -53.73 -36.27 62.11 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.108 -0.995 . . . . 0.0 110.658 -178.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.26 -44.05 48.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.237 -0.914 . . . . 0.0 109.944 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.4 -16.51 60.72 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.709 178.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -109.64 -48.88 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.345 -0.847 . . . . 0.0 111.303 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.3 p -53.65 -25.91 20.01 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.205 -0.934 . . . . 0.0 110.374 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -33.34 64.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.61 -0.681 . . . . 0.0 109.459 179.19 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -82.32 -34.62 28.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.724 -0.61 . . . . 0.0 109.889 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.2 m -61.94 -29.65 70.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.688 -0.632 . . . . 0.0 109.938 179.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.5 p -61.53 -35.26 77.25 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.603 -0.686 . . . . 0.0 109.945 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -63.76 -31.37 72.52 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.629 -0.669 . . . . 0.0 109.732 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -92.08 -33.96 14.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.668 -0.645 . . . . 0.0 109.983 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.412 ' CH2' ' HG2' ' A' ' 57' ' ' LYS . 72.6 t-105 -68.61 -36.93 79.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.678 -0.639 . . . . 0.0 109.976 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -27.77 54.39 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.698 -0.626 . . . . 0.0 110.276 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.0 p -87.09 -26.32 23.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.576 -0.703 . . . . 0.0 110.449 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.3 mtp -59.46 158.78 9.05 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.505 -0.747 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.8 m -101.86 -172.62 2.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.495 -0.753 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.77 -11.72 60.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.524 -0.735 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -73.21 -30.33 63.44 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.179 -0.95 . . . . 0.0 109.882 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -101.64 -39.9 7.25 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.678 -0.639 . . . . 0.0 109.963 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 11.5 mtpp -66.25 -25.73 67.02 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.671 -0.643 . . . . 0.0 110.266 179.827 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.6 p -62.81 -40.59 97.84 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.427 -0.796 . . . . 0.0 110.347 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -62.3 -37.77 86.82 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.576 -0.702 . . . . 0.0 110.266 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -74.61 -31.33 61.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.513 -0.742 . . . . 0.0 110.132 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -82.93 -28.53 29.82 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.567 -0.708 . . . . 0.0 110.184 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.87 -28.3 64.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.504 -0.747 . . . . 0.0 110.207 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.8 mtp -83.92 -28.58 27.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.563 -0.711 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.92 -38.77 64.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.512 -0.743 . . . . 0.0 110.215 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -66.66 -28.67 68.65 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.512 -0.742 . . . . 0.0 110.172 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.6 t -63.9 -38.33 90.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.632 -0.667 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -92.02 -28.42 17.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.594 -0.691 . . . . 0.0 110.303 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -68.32 -28.32 67.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.55 -0.719 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.27 64.79 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.538 -0.726 . . . . 0.0 110.202 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -62.03 -28.38 69.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.47 -0.769 . . . . 0.0 110.249 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.577 -0.702 . . . . 0.0 110.252 -179.993 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 mttt . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.046 0.451 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.99 -168.76 1.97 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.613 -0.679 . . . . 0.0 110.12 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 t -156.54 -179.01 7.77 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.582 -0.699 . . . . 0.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -76.71 -28.72 55.95 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.583 -0.698 . . . . 0.0 110.115 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -77.07 -28.78 54.76 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.633 -0.667 . . . . 0.0 110.138 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.38 -30.52 42.56 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.615 -0.678 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -73.84 -29.54 62.18 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.601 -0.687 . . . . 0.0 109.972 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.457 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 27.3 t80 -61.93 -55.2 32.04 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.662 -0.648 . . . . 0.0 110.082 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.73 -29.69 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.545 -0.722 . . . . 0.0 109.677 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.63 -50.86 61.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.59 -0.693 . . . . 0.0 109.746 179.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 56.6 m -69.82 -33.25 72.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.576 -0.703 . . . . 0.0 109.764 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 70.5 m -75.55 -29.55 59.42 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.665 -0.647 . . . . 0.0 109.749 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -66.88 -46.55 74.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.603 -0.686 . . . . 0.0 109.805 179.542 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -60.97 -32.02 71.59 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.557 -0.714 . . . . 0.0 109.472 179.297 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -72.02 -13.54 61.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.736 -0.602 . . . . 0.0 110.255 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 72.6 t60 -95.01 26.19 3.78 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.369 -0.832 . . . . 0.0 109.974 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -112.33 29.15 8.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.149 -0.97 . . . . 0.0 110.293 179.381 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -122.03 -82.21 0.65 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.438 -0.789 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -93.26 49.56 1.42 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.146 -0.971 . . . . 0.0 109.759 179.599 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 32.5 m80 -142.11 53.32 3.03 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.62 -0.675 . . . . 0.0 109.861 -179.419 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.6 Cg_endo -73.23 -49.03 0.24 Allowed 'Trans proline' 0 C--N 1.318 -1.035 0 O-C-N 123.268 1.141 . . . . 0.0 110.51 -179.674 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -97.16 36.24 1.47 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.616 -0.677 . . . . 0.0 110.202 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.9 m -141.86 86.09 1.97 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.585 -0.697 . . . . 0.0 110.218 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.7 m -71.93 171.85 11.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.59 -0.694 . . . . 0.0 110.131 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -146.21 105.79 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.561 -179.357 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -92.08 50.12 1.62 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.442 -0.786 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 67.33 -57.83 0.43 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.687 -0.633 . . . . 0.0 110.712 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.57 85.35 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.834 -1.166 . . . . 0.0 110.775 -179.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -59.97 -18.01 42.45 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.477 -0.764 . . . . 0.0 110.403 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 23' ' ' SER . 14.0 t80 -112.09 -47.44 3.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.376 -0.828 . . . . 0.0 110.772 -179.682 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -54.47 -25.59 26.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.61 -0.681 . . . . 0.0 110.312 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -69.06 -29.8 68.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.633 -0.667 . . . . 0.0 109.617 179.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.65 -44.67 9.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.718 -0.614 . . . . 0.0 110.141 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.6 m -61.55 -29.16 69.83 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.61 -0.681 . . . . 0.0 110.033 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.5 p -66.44 -33.94 76.82 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.498 -0.751 . . . . 0.0 109.919 179.582 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -66.71 -34.4 77.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.685 -0.634 . . . . 0.0 109.849 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -89.06 -36.96 15.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.581 -0.7 . . . . 0.0 110.009 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.457 ' CE3' ' CD1' ' A' ' 19' ' ' PHE . 63.0 t-105 -63.04 -47.3 83.6 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.594 -0.691 . . . . 0.0 109.957 179.76 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -65.7 -28.33 68.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.572 -0.705 . . . . 0.0 110.214 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -95.9 -8.79 33.03 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.489 -0.757 . . . . 0.0 111.077 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.5 mmm -58.33 163.74 2.86 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.101 -0.999 . . . . 0.0 110.411 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -93.81 168.09 11.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.624 -0.673 . . . . 0.0 110.32 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -23.68 65.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.577 -0.702 . . . . 0.0 110.444 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -69.21 -30.94 69.22 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.452 -0.78 . . . . 0.0 109.91 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -95.05 -40.41 9.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.773 -0.579 . . . . 0.0 109.976 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -67.25 -21.23 65.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.69 -0.632 . . . . 0.0 110.438 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 p -78.1 -30.15 49.36 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.357 -0.84 . . . . 0.0 110.369 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -65.08 -28.96 69.82 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.599 -0.688 . . . . 0.0 110.258 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -86.22 -28.88 23.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.653 -0.654 . . . . 0.0 110.188 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -73.39 -29.34 62.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.663 -0.648 . . . . 0.0 110.187 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.5 -28.47 61.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.662 -0.648 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.2 mmt -83.36 -29.64 28.06 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.524 -0.735 . . . . 0.0 110.224 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.07 -37.35 46.77 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.525 -0.734 . . . . 0.0 110.214 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -66.1 -30.11 70.55 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.574 -0.704 . . . . 0.0 110.107 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.1 t -62.87 -35.01 78.58 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.56 -0.713 . . . . 0.0 110.073 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -86.08 -38.74 17.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.579 -0.701 . . . . 0.0 110.171 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -30.27 70.97 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.572 -0.705 . . . . 0.0 110.149 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.35 -27.83 25.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.589 -0.695 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -95.76 23.49 6.19 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.525 -0.734 . . . . 0.0 110.564 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.5 t80 . . . . . 0 N--CA 1.494 1.766 0 O-C-N 121.37 -0.831 . . . . 0.0 110.444 179.895 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.2 mttp . . . . . 0 N--CA 1.503 2.188 0 CA-C-O 121.046 0.45 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.407 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 38.1 mtp -134.69 122.61 22.45 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.551 -0.718 . . . . 0.0 110.127 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -96.58 179.27 5.06 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.566 -0.709 . . . . 0.0 110.207 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.5 p -69.9 -28.72 65.85 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.637 -0.664 . . . . 0.0 110.213 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -72.21 -28.91 63.48 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.536 -0.727 . . . . 0.0 110.176 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.05 -30.08 58.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.521 -0.737 . . . . 0.0 110.143 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 15.4 m-85 -79.25 -28.66 42.43 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.561 -0.712 . . . . 0.0 110.178 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.06 -50.8 66.98 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.618 -0.676 . . . . 0.0 110.13 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.0 t -72.73 -35.54 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.563 -0.71 . . . . 0.0 109.966 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -66.51 -45.86 78.13 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.454 -0.779 . . . . 0.0 110.129 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.7 m -70.85 -28.96 64.97 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.566 -0.709 . . . . 0.0 110.113 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -87.51 4.22 44.35 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.621 -0.674 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.29 -45.58 8.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.184 -0.948 . . . . 0.0 109.939 179.837 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.66 -37.9 83.09 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.615 -0.678 . . . . 0.0 109.796 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -67.73 -23.84 65.3 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.682 -0.636 . . . . 0.0 110.239 179.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.91 -27.75 64.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.509 -0.744 . . . . 0.0 110.122 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -82.19 4.72 22.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.473 -0.767 . . . . 0.0 111.268 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -100.44 -17.0 17.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.093 -1.005 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -135.58 22.97 3.4 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.277 -0.889 . . . . 0.0 111.049 -179.667 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 82.7 m-70 -145.73 84.98 7.97 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.324 -0.86 . . . . 0.0 110.354 179.717 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.77 -29.24 10.72 Favored 'Trans proline' 0 C--N 1.316 -1.181 0 O-C-N 123.503 1.265 . . . . 0.0 110.395 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -124.1 54.06 1.37 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.549 -0.72 . . . . 0.0 110.443 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.7 97.47 2.37 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.526 -0.734 . . . . 0.0 110.191 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -82.72 170.95 14.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.611 -0.68 . . . . 0.0 110.66 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -147.52 107.39 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-O 121.251 0.548 . . . . 0.0 110.338 -179.415 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -88.67 53.3 2.67 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.411 -0.806 . . . . 0.0 110.224 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 64.45 -61.58 0.19 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 122.063 -0.398 . . . . 0.0 111.493 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.17 89.72 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.005 -1.06 . . . . 0.0 111.154 -179.03 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.24 -15.24 59.67 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.316 -0.865 . . . . 0.0 110.432 179.639 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -117.62 -45.85 2.68 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 0.0 110.439 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.4 p -55.87 -24.73 38.79 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.602 -0.686 . . . . 0.0 110.092 179.225 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -67.98 -29.8 68.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.576 -0.703 . . . . 0.0 109.694 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -88.74 -38.3 14.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.73 -0.606 . . . . 0.0 110.225 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.9 m -63.42 -29.62 70.89 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.546 -0.721 . . . . 0.0 110.005 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -67.08 -34.85 78.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.546 -0.721 . . . . 0.0 109.897 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -66.01 -33.29 75.47 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.563 -0.71 . . . . 0.0 109.87 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -88.34 -38.68 14.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.623 -0.673 . . . . 0.0 110.017 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -61.88 -52.41 64.22 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.603 -0.685 . . . . 0.0 110.037 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -62.83 -26.06 68.57 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.579 -0.701 . . . . 0.0 110.523 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.3 p -95.13 -14.44 24.18 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.525 -0.735 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mmm -56.47 162.74 2.03 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.154 -0.966 . . . . 0.0 110.582 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -91.17 176.0 6.74 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.536 -0.728 . . . . 0.0 110.45 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.09 -24.72 60.69 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.662 -0.649 . . . . 0.0 110.359 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -68.18 -31.88 71.73 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.495 -0.753 . . . . 0.0 109.759 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -92.82 -39.22 11.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.673 -0.642 . . . . 0.0 109.92 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -63.25 -22.8 67.1 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.69 -0.631 . . . . 0.0 110.328 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.0 p -77.88 -30.87 50.99 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.411 -0.805 . . . . 0.0 110.281 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -62.42 -29.71 70.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.525 -0.734 . . . . 0.0 110.201 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -89.74 -28.92 19.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.555 -0.716 . . . . 0.0 110.204 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.23 -28.85 47.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.517 -0.74 . . . . 0.0 110.208 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.53 -29.02 63.22 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.556 -0.715 . . . . 0.0 110.164 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 49.1 mmm -82.75 -29.7 29.53 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.581 -0.699 . . . . 0.0 110.144 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.64 -33.7 31.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.475 -0.766 . . . . 0.0 110.071 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -66.37 -33.95 76.88 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.566 -0.709 . . . . 0.0 110.092 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.6 t -69.73 -30.55 68.19 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.601 -0.687 . . . . 0.0 110.109 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.93 -35.06 29.52 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.598 -0.689 . . . . 0.0 110.114 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -40.26 87.86 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.622 -0.674 . . . . 0.0 110.329 179.914 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.26 -44.91 62.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.573 -0.704 . . . . 0.0 109.938 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -65.55 -14.16 60.49 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.681 -0.637 . . . . 0.0 110.617 179.672 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.21 -0.931 . . . . 0.0 110.562 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.227 0.536 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.6 mtm 53.88 -177.32 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.466 -0.771 . . . . 0.0 110.709 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.5 t -146.48 -179.56 6.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.628 -0.67 . . . . 0.0 110.207 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.3 p -59.48 -29.16 67.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.562 -0.711 . . . . 0.0 110.435 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -75.82 -40.94 54.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.48 -0.763 . . . . 0.0 110.101 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.27 -34.43 76.17 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.541 -0.724 . . . . 0.0 110.007 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -73.7 -29.01 62.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.616 -0.678 . . . . 0.0 110.02 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -61.73 -55.61 28.46 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.569 -0.707 . . . . 0.0 110.079 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.78 -31.09 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.522 -0.736 . . . . 0.0 109.57 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -68.89 -47.47 65.78 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.599 -0.688 . . . . 0.0 109.792 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 m -77.78 -31.71 52.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.675 -0.64 . . . . 0.0 109.74 179.568 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.5 m -70.49 -31.08 68.05 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.608 -0.683 . . . . 0.0 109.822 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -69.93 -42.86 72.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.661 -0.65 . . . . 0.0 109.535 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -63.19 -36.25 83.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.659 -0.65 . . . . 0.0 109.288 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.76 -21.57 66.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.727 -0.608 . . . . 0.0 109.869 179.049 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 63.7 t60 -95.07 34.91 1.32 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.437 -0.789 . . . . 0.0 109.939 179.614 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -120.04 27.16 8.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.083 -1.011 . . . . 0.0 110.408 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.66 -80.61 0.63 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.477 -0.764 . . . . 0.0 110.193 179.908 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -93.39 51.27 1.59 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.284 -0.885 . . . . 0.0 109.846 179.633 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 32.2 m80 -143.15 53.35 2.56 Favored Pre-proline 0 N--CA 1.494 1.737 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.875 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 47.4 Cg_endo -72.86 -49.23 0.25 Allowed 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.285 1.15 . . . . 0.0 110.563 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -87.86 -27.51 22.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.643 -0.661 . . . . 0.0 110.408 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.1 t -76.96 85.52 3.49 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.545 -0.722 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 t -72.5 175.09 6.58 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.523 -0.736 . . . . 0.0 110.195 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -146.62 79.95 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.749 -179.245 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 39' ' ' ALA . 4.3 p-10 -71.98 63.6 0.49 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.437 -0.789 . . . . 0.0 110.184 179.561 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 56.86 -81.21 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.766 -0.584 . . . . 0.0 111.565 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -44.12 -45.91 8.41 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.329 -0.857 . . . . 0.0 112.826 -178.521 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -20.89 51.12 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.262 -0.899 . . . . 0.0 110.14 179.522 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -110.27 -39.57 4.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.462 -0.774 . . . . 0.0 109.928 179.396 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 p -56.85 -23.46 44.37 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.408 0.623 . . . . 0.0 109.971 179.304 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -88.91 -27.65 20.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.606 -0.684 . . . . 0.0 110.266 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -85.05 -37.45 20.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.566 -0.708 . . . . 0.0 110.778 -179.62 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.7 p -58.83 -30.11 67.41 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.382 -0.824 . . . . 0.0 110.305 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.5 p -69.49 -40.1 77.24 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.59 -0.694 . . . . 0.0 109.956 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.99 -32.77 74.43 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.519 -0.738 . . . . 0.0 109.799 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -83.57 -39.66 20.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.585 -0.697 . . . . 0.0 110.046 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -69.49 -36.45 76.53 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.623 -0.673 . . . . 0.0 109.953 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -71.77 -29.45 64.5 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.61 -0.681 . . . . 0.0 110.006 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.7 p -83.46 -27.31 29.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.613 -0.679 . . . . 0.0 110.235 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.6 mmm -59.73 147.44 37.77 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.48 -0.763 . . . . 0.0 110.271 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.1 m -100.03 -177.48 3.55 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.615 -0.678 . . . . 0.0 110.297 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.54 -22.69 64.49 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.6 -0.687 . . . . 0.0 110.631 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -69.17 -30.29 68.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.438 -0.789 . . . . 0.0 109.92 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -99.39 -42.36 7.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.718 -0.614 . . . . 0.0 109.96 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -63.24 -22.45 66.88 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.668 -0.645 . . . . 0.0 110.449 179.758 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.1 p -60.97 -29.93 69.96 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.512 -0.743 . . . . 0.0 110.331 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -65.88 -29.25 69.66 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.565 -0.709 . . . . 0.0 110.162 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -92.39 -28.48 16.86 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.579 -0.701 . . . . 0.0 110.206 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -71.98 -29.32 64.12 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.538 -0.726 . . . . 0.0 110.161 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -78.47 -27.98 46.41 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.641 -0.662 . . . . 0.0 110.245 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 96.1 mtp -77.94 -28.61 49.64 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.551 -0.718 . . . . 0.0 110.229 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.38 -29.09 37.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.508 -0.745 . . . . 0.0 110.211 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -77.26 -29.18 53.81 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.562 -0.711 . . . . 0.0 110.206 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -63.58 -36.02 82.41 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.626 -0.671 . . . . 0.0 110.129 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -82.23 -36.37 27.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.61 -0.681 . . . . 0.0 110.158 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.74 -29.96 70.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.587 -0.696 . . . . 0.0 110.174 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.53 -30.01 19.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.571 -0.705 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -77.65 -29.12 51.49 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.504 -0.747 . . . . 0.0 110.228 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.5 t80 . . . . . 0 N--CA 1.496 1.853 0 O-C-N 121.473 -0.767 . . . . 0.0 110.286 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.121 0.486 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.5 90.99 0.11 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -103.19 -67.63 0.87 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.543 -0.975 . . . . 0.0 110.179 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.82 124.04 8.38 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.24 159.35 63.0 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.58 -0.953 . . . . 0.0 110.322 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -73.29 -43.0 0.77 Allowed 'Trans proline' 0 C--N 1.316 -1.18 0 O-C-N 123.408 1.214 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.28 -40.52 2.25 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.072 0.463 . . . . 0.0 110.238 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -61.31 161.92 16.29 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.536 -0.728 . . . . 0.0 110.12 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.68 -176.31 2.24 Favored 'Trans proline' 0 C--N 1.317 -1.081 0 O-C-N 123.374 1.197 . . . . 0.0 110.462 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -97.84 179.34 4.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.614 -0.679 . . . . 0.0 110.234 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.58 -162.96 4.52 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -104.43 -167.93 1.42 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.568 -0.96 . . . . 0.0 110.244 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.19 -159.46 0.72 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.53 -0.731 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.7 t -161.86 177.86 9.46 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.579 -0.701 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.1 p -77.31 -28.87 53.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.64 -0.662 . . . . 0.0 110.132 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.63 -29.99 70.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.627 -0.67 . . . . 0.0 110.113 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.87 -38.16 46.58 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.59 -0.693 . . . . 0.0 110.021 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.51 -28.46 67.85 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.606 -0.684 . . . . 0.0 110.116 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.94 -53.33 58.57 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.559 -0.713 . . . . 0.0 110.057 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.7 -29.54 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.607 -0.683 . . . . 0.0 109.765 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -72.42 -35.3 68.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.558 -0.713 . . . . 0.0 109.952 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 m -85.23 -32.28 22.71 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.613 -0.679 . . . . 0.0 110.082 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.9 m -75.01 -30.49 61.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.604 -0.685 . . . . 0.0 109.992 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -35.69 63.58 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.621 -0.674 . . . . 0.0 109.985 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.92 -27.19 68.0 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.569 -0.707 . . . . 0.0 110.163 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -95.18 24.2 5.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.52 -0.738 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 27.4 t60 -105.04 -43.73 4.97 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.42 -0.8 . . . . 0.0 110.106 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -58.54 -25.14 62.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -59.1 -27.08 65.24 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.478 -0.764 . . . . 0.0 110.445 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -138.23 23.71 2.76 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.57 -0.706 . . . . 0.0 110.68 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.421 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 83.6 m-70 -146.15 68.61 12.63 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.432 -0.792 . . . . 0.0 109.984 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.77 -44.93 0.57 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.295 1.155 . . . . 0.0 110.401 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -107.38 65.29 0.65 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.637 -0.665 . . . . 0.0 110.217 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 m -148.58 130.69 15.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.601 -0.687 . . . . 0.0 110.241 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.0 p -89.41 102.52 15.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.505 -0.747 . . . . 0.0 110.094 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -106.21 74.81 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.582 -0.699 . . . . 0.0 110.338 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -58.92 -176.06 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.508 -0.745 . . . . 0.0 109.925 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -72.92 -45.3 58.92 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.434 -0.791 . . . . 0.0 110.188 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.13 -40.91 71.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.281 -0.887 . . . . 0.0 110.585 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.82 -16.69 59.33 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.04 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -113.71 -45.95 3.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.33 -0.856 . . . . 0.0 110.799 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.4 p -56.15 -23.84 37.3 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.498 -0.751 . . . . 0.0 110.196 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -72.46 -34.77 67.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.555 -0.715 . . . . 0.0 109.626 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -82.77 -41.81 18.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.653 -0.654 . . . . 0.0 110.061 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 44.0 m -61.68 -29.48 70.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.513 -0.742 . . . . 0.0 109.959 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.2 p -67.77 -32.82 73.67 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.516 -0.74 . . . . 0.0 109.805 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.49 -32.3 73.03 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.613 -0.679 . . . . 0.0 109.858 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -43.27 12.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.574 -0.704 . . . . 0.0 109.762 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -61.61 -36.79 81.74 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.633 -0.667 . . . . 0.0 109.857 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -71.72 -28.67 63.84 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.617 -0.677 . . . . 0.0 110.145 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.4 p -93.98 -20.09 20.3 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.554 -0.716 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.3 mmm -56.16 155.05 7.03 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.351 -0.843 . . . . 0.0 110.494 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.3 p -103.75 -178.5 3.68 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.665 -0.647 . . . . 0.0 110.299 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.92 -22.13 63.22 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.53 -0.731 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -68.23 -30.52 69.6 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.376 -0.827 . . . . 0.0 109.798 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -100.17 -43.65 6.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.644 -0.66 . . . . 0.0 109.934 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -62.4 -23.05 66.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.667 -0.646 . . . . 0.0 110.313 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.4 p -60.16 -30.05 69.07 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.432 -0.792 . . . . 0.0 110.4 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -66.76 -28.96 68.82 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.493 -0.754 . . . . 0.0 110.245 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -92.84 -28.58 16.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.71 . . . . 0.0 110.305 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.05 -28.59 62.41 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.523 -0.736 . . . . 0.0 110.257 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.49 -28.34 46.38 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.593 -0.692 . . . . 0.0 110.253 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.2 mmt -82.19 -28.36 32.07 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.58 -0.7 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.37 -41.76 46.93 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.617 -0.677 . . . . 0.0 110.18 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -68.47 -28.55 67.14 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.608 -0.682 . . . . 0.0 110.207 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.6 t -61.01 -38.75 87.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.549 -0.719 . . . . 0.0 110.125 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -90.59 -29.1 18.02 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.587 -0.695 . . . . 0.0 110.162 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -63.6 -34.2 77.29 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.528 -0.732 . . . . 0.0 110.17 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.54 -28.65 41.28 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.578 -0.701 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.26 -28.45 69.72 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.558 -0.714 . . . . 0.0 110.225 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -70.25 -28.92 65.62 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.505 -0.747 . . . . 0.0 110.188 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.57 -30.56 70.22 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.53 -0.731 . . . . 0.0 110.142 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -100.61 42.23 1.13 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.663 -0.648 . . . . 0.0 110.208 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -126.92 -56.26 1.36 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.59 -0.694 . . . . 0.0 110.183 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.8 mmt -100.81 -34.32 9.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.515 -0.74 . . . . 0.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -92.22 155.25 18.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.566 -0.709 . . . . 0.0 110.223 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.0 t30 . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.815 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptt? . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 121.067 0.461 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.42 50.69 0.13 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -102.34 176.35 5.21 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.55 -0.97 . . . . 0.0 110.092 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.29 148.28 45.48 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.17 165.96 11.91 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.51 -0.994 . . . . 0.0 110.155 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.53 -43.36 0.67 Allowed 'Trans proline' 0 C--N 1.317 -1.104 0 O-C-N 123.512 1.27 . . . . 0.0 110.131 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.22 44.19 2.73 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.163 0.506 . . . . 0.0 110.285 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -157.81 151.51 19.38 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.544 -0.722 . . . . 0.0 110.313 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.58 -165.63 0.24 Allowed 'Trans proline' 0 C--N 1.317 -1.127 0 O-C-N 123.487 1.256 . . . . 0.0 110.441 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -79.42 -169.05 1.74 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.56 -0.713 . . . . 0.0 110.154 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.65 42.28 1.97 Allowed Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? 52.88 -167.26 0.06 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.455 -1.027 . . . . 0.0 110.709 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.8 mtp -129.36 -169.58 2.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.602 -0.686 . . . . 0.0 110.254 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t -155.25 168.3 27.5 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.571 -0.705 . . . . 0.0 110.164 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.1 p -70.27 -28.27 65.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.599 -0.688 . . . . 0.0 110.183 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.26 -28.98 62.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.698 . . . . 0.0 110.194 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.6 -38.67 39.42 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.552 -0.718 . . . . 0.0 110.12 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.08 -29.42 66.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.549 -0.719 . . . . 0.0 110.005 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.81 -57.63 11.11 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.59 -0.694 . . . . 0.0 110.049 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.3 t -66.51 -30.05 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.618 -0.677 . . . . 0.0 109.847 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -69.35 -32.24 71.18 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.555 -0.716 . . . . 0.0 110.143 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.4 m -93.93 -28.73 15.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.668 -0.645 . . . . 0.0 110.155 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.6 m -79.76 -27.4 40.47 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.56 -0.713 . . . . 0.0 110.396 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -40.83 72.63 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.529 -0.732 . . . . 0.0 110.012 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.93 -42.43 81.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.616 -0.678 . . . . 0.0 110.002 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.47 -23.49 64.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.636 -0.665 . . . . 0.0 110.372 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -77.79 -47.42 18.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.502 -0.749 . . . . 0.0 110.218 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -62.38 -28.9 70.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.549 -0.719 . . . . 0.0 110.28 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -61.17 -20.95 63.33 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.588 -0.695 . . . . 0.0 110.779 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -133.6 21.24 3.93 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.349 -0.844 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -145.63 64.53 10.52 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.449 -0.782 . . . . 0.0 110.143 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -73.7 -29.89 10.17 Favored 'Trans proline' 0 C--N 1.317 -1.084 0 O-C-N 123.275 1.145 . . . . 0.0 110.427 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -83.54 -28.33 28.68 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.569 -0.707 . . . . 0.0 110.377 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -93.64 -169.74 2.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.489 -0.757 . . . . 0.0 110.291 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -143.44 -177.92 5.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.644 -0.66 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 p -167.77 103.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.604 -0.685 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -81.25 -164.93 0.83 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.448 -0.783 . . . . 0.0 109.389 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -84.36 -51.51 6.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.319 -0.863 . . . . 0.0 109.975 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.87 75.52 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.325 -0.86 . . . . 0.0 110.729 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.74 -16.71 58.85 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.17 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -114.48 -45.29 3.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.882 . . . . 0.0 110.809 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -56.06 -23.4 33.32 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.467 -0.771 . . . . 0.0 110.079 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -74.35 -30.66 62.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.538 -0.726 . . . . 0.0 109.623 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -89.55 -32.86 16.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.668 -0.645 . . . . 0.0 110.124 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.2 m -61.33 -29.39 69.86 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.476 -0.765 . . . . 0.0 110.007 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.0 p -65.54 -34.79 79.08 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.564 -0.71 . . . . 0.0 109.865 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -63.41 -29.26 70.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.633 -0.667 . . . . 0.0 109.955 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -94.58 -32.75 13.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.518 -0.738 . . . . 0.0 110.086 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -67.75 -41.46 83.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.629 -0.67 . . . . 0.0 110.169 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -76.5 -26.49 55.33 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.492 -0.755 . . . . 0.0 110.544 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.1 p -91.46 -22.58 20.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.487 -0.758 . . . . 0.0 110.629 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.6 mtp -58.07 168.42 1.01 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.334 -0.854 . . . . 0.0 110.403 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.0 m -106.94 -176.77 3.17 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.575 -0.703 . . . . 0.0 110.355 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.28 61.95 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.691 -0.631 . . . . 0.0 110.678 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.79 -30.45 69.89 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.357 -0.839 . . . . 0.0 109.793 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.59 -42.07 7.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.763 -0.586 . . . . 0.0 109.808 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -65.4 -21.37 66.66 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.703 -0.623 . . . . 0.0 110.48 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 p -69.54 -30.93 68.86 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.325 -0.859 . . . . 0.0 110.342 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -67.57 -28.86 68.13 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.495 -0.753 . . . . 0.0 110.21 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -89.96 -28.45 19.13 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.657 -0.652 . . . . 0.0 110.378 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -75.02 -28.29 60.42 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.574 -0.704 . . . . 0.0 110.323 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.34 -28.04 52.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.551 -0.718 . . . . 0.0 110.336 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.6 mmt -76.23 -29.69 57.65 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.706 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.65 -35.21 27.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.626 -0.671 . . . . 0.0 110.195 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -69.62 -28.88 66.29 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.595 -0.691 . . . . 0.0 110.213 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 t -62.5 -43.55 98.54 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.581 -0.699 . . . . 0.0 110.09 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.44 -29.26 41.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.626 -0.671 . . . . 0.0 110.217 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -62.31 -28.17 69.55 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.598 -0.689 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.87 -28.48 32.95 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.593 -0.692 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -68.84 -28.76 67.02 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.479 -0.763 . . . . 0.0 110.219 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -69.57 -28.61 66.13 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.576 -0.703 . . . . 0.0 110.174 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.76 -34.38 77.76 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.53 -0.731 . . . . 0.0 110.143 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -104.86 37.75 2.08 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.604 -0.685 . . . . 0.0 110.255 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -118.27 -36.97 3.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.59 -0.694 . . . . 0.0 110.204 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 34.6 mtp -94.47 -28.74 15.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.618 -0.676 . . . . 0.0 110.209 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -81.25 171.48 14.79 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.575 -0.703 . . . . 0.0 110.217 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.234 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 ttt . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.106 0.479 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.88 108.86 0.39 Allowed Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -101.4 -44.35 5.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.527 -0.984 . . . . 0.0 110.265 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.21 143.23 31.61 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.434 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -174.77 -59.97 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 121.496 -1.003 . . . . 0.0 110.398 179.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.3 Cg_endo -72.64 -42.7 1.12 Allowed 'Trans proline' 0 N--CA 1.488 1.165 0 O-C-N 123.116 1.061 . . . . 0.0 110.226 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.67 -49.7 1.87 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.921 -0.487 . . . . 0.0 110.403 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -81.71 145.83 55.17 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.572 -0.705 . . . . 0.0 110.277 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.72 -171.96 0.98 Allowed 'Trans proline' 0 C--N 1.318 -1.075 0 O-C-N 123.309 1.163 . . . . 0.0 110.437 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 ttp85 -154.23 44.5 0.55 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.548 -0.72 . . . . 0.0 110.207 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.44 179.89 36.4 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -94.96 -168.97 1.9 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.651 -0.911 . . . . 0.0 110.148 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.13 -168.98 2.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.536 -0.727 . . . . 0.0 110.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -150.79 168.73 23.54 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.633 -0.667 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.6 p -70.07 -28.18 65.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.571 -0.706 . . . . 0.0 110.226 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.31 -29.17 64.71 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.525 -0.735 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.9 -37.67 39.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.578 -0.701 . . . . 0.0 110.135 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.96 -28.61 63.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.568 -0.707 . . . . 0.0 110.094 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 49' ' ' TRP . 49.8 t80 -61.6 -52.13 65.67 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.593 -0.692 . . . . 0.0 110.179 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.9 t -64.04 -28.38 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.575 -0.703 . . . . 0.0 110.01 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -74.28 -51.61 14.77 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.544 -0.723 . . . . 0.0 110.2 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -62.51 -28.6 69.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.499 -0.751 . . . . 0.0 110.144 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 m -80.6 -28.86 36.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.543 -0.723 . . . . 0.0 110.17 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -49.94 72.71 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.586 -0.696 . . . . 0.0 110.1 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.37 -38.61 87.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.613 -0.679 . . . . 0.0 110.064 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -70.85 -14.42 62.39 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.633 -0.667 . . . . 0.0 110.782 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.438 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 39.9 t60 -94.18 24.0 4.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.337 -0.852 . . . . 0.0 110.519 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -118.2 -36.11 3.66 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.29 -0.882 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -69.55 -37.06 76.89 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.629 -0.669 . . . . 0.0 110.23 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 24.9 pttt -96.22 14.62 23.49 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.561 -0.712 . . . . 0.0 111.003 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CD2' ' CE1' ' A' ' 27' ' ' HIS . 55.2 m-70 -144.48 89.15 6.95 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.257 -0.902 . . . . 0.0 109.946 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.51 -32.02 10.36 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 O-C-N 123.375 1.197 . . . . 0.0 110.679 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -144.82 83.66 1.71 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.523 -0.735 . . . . 0.0 110.305 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t -154.2 130.64 10.56 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.571 -0.705 . . . . 0.0 110.129 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -76.88 151.58 35.75 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.548 -0.72 . . . . 0.0 109.965 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.9 p -162.95 71.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.616 -0.677 . . . . 0.0 110.42 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -59.49 -168.5 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -78.53 -40.74 34.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.418 -0.801 . . . . 0.0 110.137 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.45 -45.93 57.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.262 -0.899 . . . . 0.0 110.506 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -60.98 -17.84 54.05 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.911 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -107.79 -48.26 3.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.318 -0.864 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.6 p -53.45 -24.72 13.61 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.41 -0.806 . . . . 0.0 110.333 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -30.78 69.64 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.518 -0.739 . . . . 0.0 109.448 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.19 -44.19 11.66 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.662 -0.649 . . . . 0.0 110.184 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.76 -28.62 68.86 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.549 -0.719 . . . . 0.0 110.04 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.3 p -70.31 -36.13 74.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.549 -0.719 . . . . 0.0 109.757 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.13 -34.49 73.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.575 -0.703 . . . . 0.0 109.716 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -81.39 -46.29 14.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.739 -0.6 . . . . 0.0 109.932 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.411 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 74.8 t-105 -61.39 -31.0 70.9 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.628 -0.67 . . . . 0.0 109.919 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -77.74 -28.39 50.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.602 -0.686 . . . . 0.0 110.134 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.7 p -96.91 -15.71 21.04 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.611 -0.68 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.1 mmm -56.02 160.49 2.78 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.225 -0.922 . . . . 0.0 110.604 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t -110.33 -178.28 3.46 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.538 -0.727 . . . . 0.0 110.345 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.3 -18.57 63.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.721 -0.612 . . . . 0.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -70.68 -29.74 66.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.306 -0.872 . . . . 0.0 109.955 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -102.62 -43.3 5.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.63 -0.669 . . . . 0.0 110.025 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -62.17 -23.34 66.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.666 -0.646 . . . . 0.0 110.402 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 p -59.68 -28.7 67.51 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.343 -0.848 . . . . 0.0 110.376 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -77.29 -29.02 53.58 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.525 -0.735 . . . . 0.0 110.183 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -89.19 -28.17 20.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.508 -0.745 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -75.23 -28.51 59.95 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.532 -0.73 . . . . 0.0 110.257 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.03 -28.25 61.34 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.533 -0.729 . . . . 0.0 110.229 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 48.4 mmm -80.7 -28.36 36.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.564 -0.71 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.67 34.48 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.534 -0.729 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -78.45 -28.75 46.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.522 -0.736 . . . . 0.0 110.248 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.4 t -64.01 -46.58 83.88 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.589 -0.695 . . . . 0.0 110.224 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -72.9 -29.1 62.88 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -66.56 -32.86 74.48 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.568 -0.707 . . . . 0.0 110.196 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -96.13 -32.09 12.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.636 -0.665 . . . . 0.0 110.233 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -70.09 -24.21 63.18 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.561 -0.712 . . . . 0.0 110.443 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -58.59 -27.97 65.13 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.419 -0.801 . . . . 0.0 110.46 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -68.27 -31.25 70.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.579 -0.701 . . . . 0.0 110.11 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -108.39 38.29 2.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.554 -0.716 . . . . 0.0 110.171 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -133.1 -44.84 0.85 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.628 -0.67 . . . . 0.0 110.223 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.43 -38.79 16.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.593 -0.692 . . . . 0.0 110.22 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -94.62 153.62 17.76 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.658 -0.651 . . . . 0.0 110.208 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.5 t30 . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.223 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.6 ttm . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.05 0.452 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.26 51.31 0.44 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -157.6 93.15 1.26 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.572 -0.958 . . . . 0.0 110.244 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.75 158.2 52.99 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.406 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -74.35 -56.85 2.34 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.594 -0.945 . . . . 0.0 110.722 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 53.9 Cg_endo -73.6 -44.14 0.55 Allowed 'Trans proline' 0 N--CA 1.487 1.131 0 O-C-N 123.227 1.119 . . . . 0.0 110.302 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.31 -158.96 0.86 Allowed 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 121.193 0.521 . . . . 0.0 109.654 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -136.74 61.74 37.73 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.649 -0.657 . . . . 0.0 110.165 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -74.08 173.4 14.16 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 O-C-N 123.384 1.202 . . . . 0.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -153.1 36.29 0.48 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.551 -0.718 . . . . 0.0 110.204 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.06 -166.65 43.94 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -121.99 -172.93 2.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.591 -0.946 . . . . 0.0 110.19 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.4 tpp -149.33 119.36 7.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.538 -0.726 . . . . 0.0 110.188 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.2 t -83.79 -179.27 7.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.622 -0.674 . . . . 0.0 110.17 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 p -74.16 -28.67 61.42 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.549 -0.719 . . . . 0.0 110.078 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -66.41 -29.33 69.46 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.535 -0.728 . . . . 0.0 110.162 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.4 69.38 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.665 -0.647 . . . . 0.0 110.051 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -78.6 -29.24 45.94 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.566 -0.709 . . . . 0.0 110.151 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -63.54 -52.4 61.29 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.574 -0.704 . . . . 0.0 110.104 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.47 -28.69 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.596 -0.69 . . . . 0.0 109.847 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -72.53 -38.21 68.11 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.544 -0.722 . . . . 0.0 110.104 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.1 m -83.48 -29.14 28.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.662 -0.649 . . . . 0.0 110.153 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 m -78.28 -28.64 47.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.579 -0.7 . . . . 0.0 110.218 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -73.91 -38.91 64.18 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.6 -0.687 . . . . 0.0 110.079 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.71 -52.02 66.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.526 -0.734 . . . . 0.0 110.013 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.53 -26.21 66.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.563 -0.711 . . . . 0.0 110.152 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -78.71 -35.64 44.62 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.545 -0.722 . . . . 0.0 109.903 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -77.25 63.63 2.51 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.608 -0.683 . . . . 0.0 109.883 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -168.25 -41.24 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.674 -0.641 . . . . 0.0 109.96 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 5.6 ptpt -107.84 23.58 14.25 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.613 -0.68 . . . . 0.0 110.586 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.448 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 74.4 m-70 -145.09 77.0 13.28 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.492 -0.755 . . . . 0.0 110.075 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.0 -50.36 0.2 Allowed 'Trans proline' 0 C--N 1.318 -1.038 0 O-C-N 123.296 1.156 . . . . 0.0 110.537 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.39 58.71 3.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.591 -0.693 . . . . 0.0 110.244 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -166.18 130.18 2.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 0.0 110.225 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.2 m -89.17 177.63 6.57 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.564 -0.71 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.7 p -167.52 69.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.497 -0.752 . . . . 0.0 110.374 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -60.41 -173.14 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.539 -0.726 . . . . 0.0 109.657 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -73.08 -42.69 62.76 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.89 67.25 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.298 -0.876 . . . . 0.0 110.581 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -62.58 -16.68 57.61 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.05 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -112.74 -44.69 3.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.929 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.6 p -57.41 -23.04 46.96 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.456 -0.778 . . . . 0.0 110.172 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -78.75 -30.67 45.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.541 -0.724 . . . . 0.0 109.781 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -85.15 -46.29 11.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.62 -0.675 . . . . 0.0 110.159 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.28 -28.51 69.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.55 -0.719 . . . . 0.0 110.085 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.1 p -68.42 -32.78 73.06 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.565 -0.709 . . . . 0.0 110.029 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -65.09 -35.16 80.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.59 -0.694 . . . . 0.0 109.951 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -88.03 -39.62 14.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.625 -0.672 . . . . 0.0 110.051 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -60.51 -49.23 78.39 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.574 -0.704 . . . . 0.0 110.193 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -64.29 -26.19 68.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.59 -0.694 . . . . 0.0 110.487 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -93.36 -22.18 19.1 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.474 -0.766 . . . . 0.0 110.703 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.19 135.97 57.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.412 -0.805 . . . . 0.0 110.426 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.2 m -77.93 154.68 31.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.552 -0.717 . . . . 0.0 110.223 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.8 -28.43 6.33 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.49 -0.756 . . . . 0.0 111.148 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -72.27 -25.66 61.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.512 -0.743 . . . . 0.0 110.098 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -91.29 -33.35 15.37 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.476 -0.765 . . . . 0.0 110.347 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -95.9 26.92 3.81 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.451 -0.781 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.7 p -82.54 -29.64 30.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.436 -0.79 . . . . 0.0 110.233 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -70.94 -29.62 65.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.595 -0.691 . . . . 0.0 110.122 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -86.76 -29.19 22.54 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.624 -0.673 . . . . 0.0 110.18 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.06 -29.66 55.24 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.62 -0.675 . . . . 0.0 110.134 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.99 -29.13 58.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.607 -0.683 . . . . 0.0 110.029 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.8 mmt -81.21 -29.17 34.61 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 110.124 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.67 -30.1 41.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.506 -0.746 . . . . 0.0 110.127 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -29.76 65.17 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.65 -0.657 . . . . 0.0 110.052 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -71.95 -30.97 65.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.541 -0.725 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -87.28 -29.59 21.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.603 -0.685 . . . . 0.0 110.105 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.72 -30.4 68.01 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.598 -0.689 . . . . 0.0 110.129 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.42 -28.07 21.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.574 -0.704 . . . . 0.0 110.353 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -60.86 -29.22 69.4 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.581 -0.699 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -65.38 -29.14 69.82 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.515 -0.741 . . . . 0.0 110.09 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.34 -28.65 31.46 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.622 -0.674 . . . . 0.0 110.165 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -81.37 -29.0 34.18 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.545 -0.722 . . . . 0.0 110.194 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -79.31 -29.65 42.49 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.602 -0.686 . . . . 0.0 110.166 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 57.0 mmm -86.63 -46.52 10.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.625 -0.672 . . . . 0.0 110.165 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -99.95 148.88 24.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.637 -0.665 . . . . 0.0 110.2 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.237 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.1 tpp . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.101 0.477 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.15 119.2 0.18 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -100.08 117.83 35.16 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.584 -0.951 . . . . 0.0 110.22 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.3 152.99 48.97 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.64 163.19 19.22 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.585 -0.95 . . . . 0.0 110.196 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.29 -42.83 0.82 Allowed 'Trans proline' 0 C--N 1.317 -1.123 0 O-C-N 123.389 1.205 . . . . 0.0 109.948 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.68 -40.88 2.03 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.064 0.459 . . . . 0.0 110.198 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -64.69 159.82 58.55 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.542 -0.724 . . . . 0.0 110.189 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.73 -173.67 1.26 Allowed 'Trans proline' 0 C--N 1.317 -1.106 0 O-C-N 123.498 1.262 . . . . 0.0 110.416 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -95.78 173.33 7.52 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.592 -0.692 . . . . 0.0 110.182 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.54 175.6 43.42 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 -169.22 1.63 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.561 -0.964 . . . . 0.0 110.203 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.95 -168.47 1.55 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.568 -0.708 . . . . 0.0 110.234 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -161.95 175.43 11.84 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.548 -0.72 . . . . 0.0 110.224 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.9 p -65.38 -28.94 69.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.601 -0.687 . . . . 0.0 110.231 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -77.86 -28.97 50.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.557 -0.714 . . . . 0.0 110.191 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.97 -29.34 39.54 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.581 -0.699 . . . . 0.0 110.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -80.85 -29.08 35.89 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.602 -0.686 . . . . 0.0 110.122 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.65 -48.44 77.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.655 -0.653 . . . . 0.0 110.133 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -71.96 -30.11 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.609 -0.682 . . . . 0.0 109.843 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -71.52 -33.19 68.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.585 -0.697 . . . . 0.0 110.052 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.8 m -87.3 -29.53 21.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.635 -0.666 . . . . 0.0 110.058 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -80.21 -32.05 38.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.602 -0.686 . . . . 0.0 110.129 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -69.84 -39.84 76.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.647 -0.658 . . . . 0.0 110.008 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.1 -54.63 38.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.649 -0.657 . . . . 0.0 110.016 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -61.08 -27.84 68.65 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.619 -0.675 . . . . 0.0 110.104 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -73.7 -24.83 59.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.576 -0.703 . . . . 0.0 110.329 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -91.65 18.68 7.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.444 -0.785 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -111.22 -20.31 12.37 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.343 -0.848 . . . . 0.0 110.427 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -134.84 25.81 3.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.417 -0.802 . . . . 0.0 110.634 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 86.1 m-70 -146.27 62.61 8.17 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 110.06 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.67 -28.78 13.65 Favored 'Trans proline' 0 C--N 1.317 -1.08 0 O-C-N 123.281 1.148 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -107.89 41.26 1.56 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.61 -0.681 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -137.73 135.07 36.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.557 -0.714 . . . . 0.0 110.2 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 m -89.75 140.22 29.8 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.584 -0.698 . . . . 0.0 110.212 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 p -144.55 69.23 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.619 -0.676 . . . . 0.0 110.237 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.21 177.1 0.14 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.459 -0.776 . . . . 0.0 109.793 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -64.75 -46.9 80.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.359 -0.838 . . . . 0.0 110.379 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.54 81.84 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.159 -0.963 . . . . 0.0 110.871 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.61 -12.6 60.79 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.586 -0.846 . . . . 0.0 110.273 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -117.81 -42.97 2.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.315 -0.866 . . . . 0.0 110.448 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.6 p -57.2 -22.16 38.75 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.637 -0.665 . . . . 0.0 109.941 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -83.65 -25.87 30.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.503 -0.748 . . . . 0.0 110.33 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -84.35 -42.64 15.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.435 -0.791 . . . . 0.0 110.912 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.1 p -57.95 -30.86 66.32 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.364 -0.835 . . . . 0.0 110.49 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 p -67.94 -39.05 83.53 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.585 -0.697 . . . . 0.0 110.045 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.82 -35.67 80.68 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.632 -0.668 . . . . 0.0 109.932 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -85.91 -37.56 18.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.675 -0.64 . . . . 0.0 110.008 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -67.12 -34.05 76.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.58 -0.7 . . . . 0.0 109.955 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -76.42 -29.54 57.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.571 -0.706 . . . . 0.0 110.075 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.5 p -84.79 -23.77 29.02 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.594 -0.691 . . . . 0.0 110.483 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.5 mmm -57.57 155.44 9.68 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.41 -0.806 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -100.91 -179.54 4.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.601 -0.687 . . . . 0.0 110.353 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.91 -22.59 63.2 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.598 -0.689 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -68.85 -30.44 68.97 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.43 -0.794 . . . . 0.0 109.795 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -98.26 -43.58 6.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.652 -0.655 . . . . 0.0 109.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -61.12 -23.6 65.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.675 -0.641 . . . . 0.0 110.24 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.8 p -67.15 -31.48 71.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.461 -0.774 . . . . 0.0 110.266 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -66.94 -29.44 69.31 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.596 -0.69 . . . . 0.0 110.154 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -93.57 -28.72 15.88 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.569 -0.707 . . . . 0.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.07 -28.62 43.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.591 -0.693 . . . . 0.0 110.204 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -76.3 -28.37 56.96 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.48 -0.762 . . . . 0.0 110.226 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.4 mmt -78.26 -28.74 47.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.542 -0.724 . . . . 0.0 110.247 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.75 -30.69 40.85 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.621 -0.674 . . . . 0.0 110.272 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -74.39 -28.77 61.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.592 -0.693 . . . . 0.0 110.125 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t -61.62 -52.14 65.6 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.627 -0.671 . . . . 0.0 110.151 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -70.61 -28.81 65.13 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.615 -0.678 . . . . 0.0 110.221 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -61.34 -28.7 69.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.59 -0.694 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.04 -28.79 65.76 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.582 -0.699 . . . . 0.0 110.29 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -67.13 -28.57 68.25 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.561 -0.712 . . . . 0.0 110.177 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -67.21 -28.86 68.42 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.542 -0.724 . . . . 0.0 110.163 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -69.77 -32.98 71.78 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.611 -0.681 . . . . 0.0 110.112 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -102.76 34.73 2.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.608 -0.682 . . . . 0.0 110.142 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -119.27 -38.28 3.06 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.537 -0.727 . . . . 0.0 110.191 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.7 mtt -91.75 -28.7 17.23 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.585 -0.697 . . . . 0.0 110.255 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -79.42 -34.74 41.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.605 -0.684 . . . . 0.0 110.218 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.4 m120 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.248 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttm . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.118 0.485 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.42 121.27 0.66 Allowed Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -98.39 -58.81 1.88 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.547 -0.972 . . . . 0.0 110.196 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.29 -124.02 5.21 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -158.18 56.26 1.0 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.573 -0.957 . . . . 0.0 110.172 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -73.08 -42.95 0.83 Allowed 'Trans proline' 0 N--CA 1.487 1.111 0 O-C-N 123.333 1.175 . . . . 0.0 110.042 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.86 -47.61 0.49 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.954 -0.466 . . . . 0.0 110.156 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -87.79 167.3 20.81 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.635 -0.666 . . . . 0.0 110.257 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.82 -172.3 0.94 Allowed 'Trans proline' 0 C--N 1.318 -1.041 0 O-C-N 123.395 1.208 . . . . 0.0 110.304 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -91.88 174.16 7.48 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.579 -0.7 . . . . 0.0 110.233 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.67 60.92 3.53 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.2 mttt 52.77 -168.8 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.405 -1.056 . . . . 0.0 110.776 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 mtt -133.39 -168.06 2.03 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.543 -0.723 . . . . 0.0 110.172 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.8 t -153.08 178.63 9.51 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.572 -0.705 . . . . 0.0 110.207 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.8 p -68.75 -28.89 67.21 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.616 -0.677 . . . . 0.0 110.216 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.21 -29.08 63.63 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.615 -0.678 . . . . 0.0 110.109 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -33.92 52.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.557 -0.714 . . . . 0.0 110.026 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -80.11 -29.61 38.98 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.645 -0.659 . . . . 0.0 110.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -63.73 -54.68 31.67 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.658 -0.651 . . . . 0.0 109.999 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.6 t -63.73 -34.8 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.536 -0.727 . . . . 0.0 109.678 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.76 -49.14 71.91 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.61 -0.681 . . . . 0.0 110.073 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 m -69.2 -28.97 66.85 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.602 -0.686 . . . . 0.0 110.088 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 m -81.85 -28.02 33.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.594 -0.691 . . . . 0.0 110.219 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -39.75 65.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.556 -0.715 . . . . 0.0 109.972 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.16 -49.77 74.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.571 -0.705 . . . . 0.0 109.924 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -61.33 -27.69 68.67 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.61 -0.681 . . . . 0.0 110.071 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.422 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 15.3 t60 -77.67 -7.31 56.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.522 -0.736 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -94.6 23.85 5.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.152 -0.967 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -123.67 -44.09 2.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 109.766 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -95.93 22.42 7.44 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.762 -0.586 . . . . 0.0 110.628 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.439 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 81.4 m-70 -145.81 89.67 6.09 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 110.14 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.97 -50.79 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.088 0 O-C-N 123.4 1.211 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -124.66 53.03 1.49 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.583 -0.698 . . . . 0.0 110.145 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.94 -19.47 10.38 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.549 -0.719 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m 56.17 172.47 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.228 -0.92 . . . . 0.0 110.376 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.1 p -168.32 79.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.492 -0.755 . . . . 0.0 110.56 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -59.86 172.9 0.66 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.349 -0.844 . . . . 0.0 109.715 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -67.55 -47.12 70.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.377 -0.827 . . . . 0.0 110.411 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.14 75.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.336 -0.852 . . . . 0.0 110.674 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -64.36 -15.53 60.57 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.656 -0.817 . . . . 0.0 110.152 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -115.81 -46.24 2.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.882 . . . . 0.0 110.639 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.1 p -55.39 -23.79 26.43 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.603 -0.686 . . . . 0.0 110.119 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -70.86 -29.75 65.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.594 -0.692 . . . . 0.0 109.663 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -88.93 -44.96 10.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.1 m -60.96 -28.98 69.37 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.59 -0.694 . . . . 0.0 110.068 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.8 p -73.47 -36.42 65.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.632 -0.668 . . . . 0.0 109.8 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.07 -30.96 69.4 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.633 -0.667 . . . . 0.0 109.75 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -88.63 -38.59 14.71 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.628 -0.67 . . . . 0.0 109.88 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -62.78 -54.19 42.78 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.647 -0.658 . . . . 0.0 109.791 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -60.26 -25.95 66.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.675 -0.641 . . . . 0.0 110.523 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.4 p -95.72 -15.69 22.46 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.533 -0.73 . . . . 0.0 111.01 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 167.03 1.06 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.218 -0.926 . . . . 0.0 110.578 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.2 m -95.36 172.74 7.91 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.544 -0.722 . . . . 0.0 110.38 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.08 -24.48 64.15 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.619 -0.676 . . . . 0.0 110.518 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -68.67 -30.55 69.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.413 -0.805 . . . . 0.0 109.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -96.16 -38.54 10.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.625 -0.672 . . . . 0.0 109.897 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -69.84 -19.06 63.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.696 -0.628 . . . . 0.0 110.53 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 p -79.0 -30.06 44.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.379 -0.826 . . . . 0.0 110.39 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -62.88 -29.2 70.58 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.479 -0.763 . . . . 0.0 110.199 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -94.19 -29.02 15.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.589 -0.694 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -72.95 -29.31 62.99 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.537 -0.727 . . . . 0.0 110.19 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -79.71 -28.31 40.6 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.567 -0.708 . . . . 0.0 110.221 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.3 mtt -79.26 -28.77 42.4 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.548 -0.72 . . . . 0.0 110.278 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.85 -32.31 46.02 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.522 -0.737 . . . . 0.0 110.107 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -70.37 -29.27 65.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.568 -0.707 . . . . 0.0 110.177 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 t -62.67 -41.48 99.1 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.583 -0.698 . . . . 0.0 110.134 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -82.91 -29.29 29.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.548 -0.72 . . . . 0.0 110.193 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -63.86 -29.17 70.39 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.575 -0.703 . . . . 0.0 110.165 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.25 -29.14 14.66 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.606 -0.684 . . . . 0.0 110.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -70.87 -27.9 64.17 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.55 -0.719 . . . . 0.0 110.203 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -73.34 -17.14 61.33 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 110.679 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -56.81 -27.76 60.42 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.203 -0.936 . . . . 0.0 110.557 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -98.99 34.99 1.97 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.556 -0.715 . . . . 0.0 110.107 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -131.69 -43.5 1.0 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.624 -0.672 . . . . 0.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 53.0 mtt -80.23 -47.47 14.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.594 -0.691 . . . . 0.0 110.275 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -149.32 170.37 18.67 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.589 -0.694 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.253 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 mmm . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.098 0.475 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.92 134.46 3.34 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -154.92 -44.35 0.08 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.594 -0.945 . . . . 0.0 110.208 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.82 -41.8 10.41 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.606 -1.397 . . . . 0.0 109.606 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -152.43 164.43 20.32 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.591 -0.947 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -73.34 -42.89 0.8 Allowed 'Trans proline' 0 C--N 1.316 -1.142 0 O-C-N 123.483 1.254 . . . . 0.0 110.014 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.6 -40.5 2.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.893 -0.504 . . . . 0.0 110.183 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -65.68 159.04 71.42 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.603 -0.686 . . . . 0.0 110.188 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.62 -166.73 0.3 Allowed 'Trans proline' 0 C--N 1.317 -1.116 0 O-C-N 123.411 1.216 . . . . 0.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -84.15 -166.57 1.47 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.565 -0.709 . . . . 0.0 110.129 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.47 134.49 6.87 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.24 147.79 22.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.534 -0.98 . . . . 0.0 110.151 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -106.96 -75.88 0.62 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.539 -0.726 . . . . 0.0 110.204 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -169.55 -175.86 2.28 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.432 -0.793 . . . . 0.0 110.205 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -70.74 -28.3 64.6 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.658 -0.651 . . . . 0.0 110.177 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -75.45 -29.09 59.54 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.507 -0.746 . . . . 0.0 110.155 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.62 -40.22 66.63 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.572 -0.705 . . . . 0.0 109.908 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -70.84 -28.91 64.95 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.673 -0.642 . . . . 0.0 109.987 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.97 -50.85 71.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.605 -0.684 . . . . 0.0 110.186 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.99 -30.6 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.533 -0.729 . . . . 0.0 109.893 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -70.25 -41.42 73.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.533 -0.729 . . . . 0.0 110.122 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.1 m -80.37 -27.79 38.14 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.571 -0.706 . . . . 0.0 110.247 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.4 m -76.23 -26.21 55.84 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.593 -0.692 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -70.69 -44.42 67.01 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.514 -0.741 . . . . 0.0 109.993 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -60.82 -40.85 94.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.546 -0.721 . . . . 0.0 109.842 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -71.67 -18.93 62.15 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.705 -0.622 . . . . 0.0 110.262 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 33.1 t60 -96.87 30.2 2.77 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.417 -0.802 . . . . 0.0 110.105 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -126.89 -51.28 1.45 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.424 -0.798 . . . . 0.0 110.501 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -61.73 -26.85 68.32 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.599 -0.688 . . . . 0.0 110.495 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 18.7 ptpt -105.41 -23.51 12.82 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.54 -0.725 . . . . 0.0 110.609 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 49.1 m-70 -117.43 69.7 5.97 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 121.422 -0.799 . . . . 0.0 110.305 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.2 -49.69 0.22 Allowed 'Trans proline' 0 C--N 1.317 -1.106 0 O-C-N 123.256 1.134 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.46 59.1 2.89 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.587 -0.696 . . . . 0.0 110.185 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.0 m -150.76 132.47 14.93 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.553 -0.717 . . . . 0.0 110.231 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -80.68 144.36 32.32 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.571 -0.706 . . . . 0.0 110.109 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 p -156.04 69.22 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.581 -0.699 . . . . 0.0 110.225 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.18 -178.26 0.08 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.481 -0.762 . . . . 0.0 109.767 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -72.06 -41.06 67.85 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.386 -0.821 . . . . 0.0 110.202 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.47 -43.48 63.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.272 -0.892 . . . . 0.0 110.506 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.42 -16.65 56.22 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.921 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -110.94 -45.49 3.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.284 -0.885 . . . . 0.0 111.008 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.4 p -56.5 -24.21 44.75 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.445 -0.785 . . . . 0.0 110.173 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -80.6 -29.71 36.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.573 -0.705 . . . . 0.0 109.78 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.73 -40.33 15.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.561 -0.712 . . . . 0.0 110.224 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.6 m -60.63 -29.68 69.4 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.602 -0.686 . . . . 0.0 109.989 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -34.79 66.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.513 -0.742 . . . . 0.0 109.859 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.19 -28.26 69.55 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.572 -0.705 . . . . 0.0 109.899 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -95.66 -40.84 9.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.665 -0.647 . . . . 0.0 109.827 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -60.16 -41.63 93.23 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.651 -0.656 . . . . 0.0 109.759 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -66.42 -16.9 64.45 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.613 -0.679 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -118.76 -1.15 11.13 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.283 -0.886 . . . . 0.0 111.182 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmm -59.2 164.93 2.85 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.152 -0.967 . . . . 0.0 110.235 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -89.78 166.39 13.58 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.492 -0.755 . . . . 0.0 110.334 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.83 -23.47 66.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.597 -0.69 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -73.63 -30.43 62.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.426 -0.796 . . . . 0.0 109.863 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -94.7 -34.25 12.62 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.722 -0.611 . . . . 0.0 109.938 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -73.69 -25.05 60.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.637 -0.665 . . . . 0.0 110.254 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -69.42 -31.16 69.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.516 -0.74 . . . . 0.0 110.22 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -64.45 -32.05 73.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.611 -0.68 . . . . 0.0 110.114 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -90.86 -29.13 17.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.543 -0.723 . . . . 0.0 110.174 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.74 -29.83 29.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.635 -0.665 . . . . 0.0 110.179 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.01 -29.04 29.21 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.587 -0.696 . . . . 0.0 110.123 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.7 mtt -77.93 -29.29 49.89 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.569 -0.707 . . . . 0.0 110.131 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.59 -33.83 41.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.575 -0.703 . . . . 0.0 110.169 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -81.05 -30.27 34.86 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.579 -0.701 . . . . 0.0 110.156 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 t -66.94 -33.13 74.91 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.623 -0.673 . . . . 0.0 110.028 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.03 -29.06 23.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.586 -0.696 . . . . 0.0 110.118 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.46 -34.34 74.23 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.625 -0.672 . . . . 0.0 110.153 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.05 -29.51 60.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.559 -0.713 . . . . 0.0 110.066 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -71.82 -27.83 63.17 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.635 -0.666 . . . . 0.0 110.156 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.36 -28.45 68.2 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.569 -0.707 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -78.96 -31.35 44.99 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.531 -0.731 . . . . 0.0 110.17 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -98.63 36.6 1.62 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.555 -0.716 . . . . 0.0 110.165 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -130.97 -45.11 1.04 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.604 -0.685 . . . . 0.0 110.21 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.6 mmt -98.14 -30.38 12.69 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.559 -0.713 . . . . 0.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -144.31 -171.1 3.51 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.517 -0.739 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.8 m120 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.173 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.078 0.466 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.76 165.17 39.4 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -153.56 32.53 0.46 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.614 -0.933 . . . . 0.0 110.093 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.99 -131.36 7.38 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.13 169.52 6.52 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.568 -0.96 . . . . 0.0 110.179 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -73.48 -43.07 0.72 Allowed 'Trans proline' 0 C--N 1.316 -1.138 0 O-C-N 123.434 1.228 . . . . 0.0 109.938 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.6 -33.57 4.25 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 122.016 -0.428 . . . . 0.0 110.427 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -82.0 163.25 54.12 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.517 -0.739 . . . . 0.0 110.148 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.81 171.16 17.94 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 O-C-N 123.368 1.194 . . . . 0.0 110.408 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -58.52 177.27 0.14 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.52 -0.738 . . . . 0.0 110.47 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.27 58.7 0.4 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt 53.22 -179.04 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.516 -0.99 . . . . 0.0 110.753 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.7 mtt -138.79 -41.15 0.49 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.558 -0.714 . . . . 0.0 110.812 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t 62.48 162.01 0.09 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.182 -0.949 . . . . 0.0 110.115 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.408 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 77.8 p -58.78 -30.56 67.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.624 -0.673 . . . . 0.0 110.887 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -60.74 -25.9 66.8 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.458 -0.776 . . . . 0.0 110.616 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.37 -34.93 31.42 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.476 -0.765 . . . . 0.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -76.29 -25.83 55.27 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.527 -0.733 . . . . 0.0 110.491 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -69.04 -49.86 53.8 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.35 -0.844 . . . . 0.0 110.312 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t -72.42 -31.35 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.559 -0.713 . . . . 0.0 110.003 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -71.49 -29.18 64.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.538 -0.726 . . . . 0.0 110.182 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.3 m -97.57 -27.55 14.35 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.556 -0.715 . . . . 0.0 110.289 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -76.4 -28.55 56.75 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.633 -0.667 . . . . 0.0 110.234 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -76.54 -35.5 58.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.597 -0.69 . . . . 0.0 110.147 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.71 -50.05 66.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.664 -0.648 . . . . 0.0 110.071 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -63.08 -24.16 67.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.611 -0.681 . . . . 0.0 110.423 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -68.81 -46.87 67.53 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.414 -0.804 . . . . 0.0 110.226 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -62.1 -28.05 69.35 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.572 -0.705 . . . . 0.0 110.432 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -60.71 -26.6 67.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.52 -0.738 . . . . 0.0 110.486 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -128.33 19.6 6.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.504 -0.748 . . . . 0.0 110.871 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 78.1 m-70 -144.87 63.28 10.16 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.442 -0.786 . . . . 0.0 110.184 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.02 -41.28 1.4 Allowed 'Trans proline' 0 C--N 1.318 -1.057 0 O-C-N 123.272 1.143 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.81 55.55 1.38 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.618 -0.676 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 m -152.13 -158.4 0.9 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.56 -0.712 . . . . 0.0 110.144 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -151.72 160.65 43.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.571 -0.706 . . . . 0.0 110.168 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -156.23 70.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.605 -0.684 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -58.84 172.64 0.51 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.547 -0.721 . . . . 0.0 109.731 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' SER . 83.6 m-85 -62.67 -64.71 0.84 Allowed 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.32 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.66 -49.17 68.53 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.495 -0.753 . . . . 0.0 111.892 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -54.18 -23.68 15.33 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.189 -0.944 . . . . 0.0 110.277 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -105.75 -26.98 11.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.546 -0.721 . . . . 0.0 110.17 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' PHE . 4.8 p -64.24 -26.7 68.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.664 -0.647 . . . . 0.0 109.443 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -84.81 -25.47 28.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.745 -0.597 . . . . 0.0 110.349 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -84.73 -41.94 15.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.512 -0.743 . . . . 0.0 110.754 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.3 p -58.9 -31.3 68.49 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.444 -0.785 . . . . 0.0 110.45 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.9 p -67.58 -34.26 76.67 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.593 -0.692 . . . . 0.0 110.12 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.6 -28.83 68.81 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.59 -0.694 . . . . 0.0 110.073 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -94.52 -42.18 8.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.591 -0.693 . . . . 0.0 110.251 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.408 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 72.4 t-105 -60.64 -29.86 69.52 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.635 -0.665 . . . . 0.0 110.248 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -80.95 -27.72 35.94 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.536 -0.728 . . . . 0.0 110.371 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.7 p -84.35 -26.59 28.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.528 -0.733 . . . . 0.0 110.464 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.8 mmm -59.36 152.31 21.54 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.376 -0.828 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.5 t -107.36 -173.8 2.38 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.579 -0.7 . . . . 0.0 110.293 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.73 -20.7 65.95 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.592 -0.692 . . . . 0.0 110.701 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -72.84 -27.99 62.26 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.357 -0.84 . . . . 0.0 110.142 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -105.78 -25.36 12.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.622 -0.674 . . . . 0.0 110.483 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -95.71 27.59 3.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.415 -0.803 . . . . 0.0 110.485 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 p -105.06 -33.27 8.36 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.47 -0.769 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -70.98 -30.21 66.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.569 -0.707 . . . . 0.0 110.36 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -76.47 -33.16 58.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.58 -0.7 . . . . 0.0 110.186 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.54 -30.41 71.44 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.568 -0.708 . . . . 0.0 110.209 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -71.94 -28.66 63.61 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.576 -0.703 . . . . 0.0 110.18 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.0 mmt -80.97 -33.14 34.04 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.559 -0.713 . . . . 0.0 110.187 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.75 -39.52 73.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.688 -0.632 . . . . 0.0 110.155 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -62.95 -26.93 69.05 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.638 -0.664 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.0 t -59.89 -47.26 86.48 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.486 -0.759 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -82.46 -40.44 21.14 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.553 -0.717 . . . . 0.0 110.175 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -62.68 -28.23 69.78 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.679 -0.638 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.07 -30.72 31.17 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.651 -0.655 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -85.13 -28.63 25.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.526 -0.734 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.19 -28.12 69.53 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.59 -0.694 . . . . 0.0 110.21 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -73.98 -34.66 64.3 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.496 -0.753 . . . . 0.0 110.19 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.2 mtt85 -102.9 44.38 1.02 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.527 -0.733 . . . . 0.0 110.215 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -125.76 -41.25 1.99 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.739 . . . . 0.0 110.224 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.3 mtp -105.38 38.79 1.88 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.548 -0.72 . . . . 0.0 110.243 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -114.77 38.71 3.05 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.621 -0.674 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.196 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 ptm . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.025 0.441 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.34 97.72 0.11 Allowed Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -147.07 94.99 2.49 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.59 -0.947 . . . . 0.0 110.181 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.53 -30.06 5.1 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.84 162.94 55.89 Favored Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.621 -0.929 . . . . 0.0 110.074 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.29 -43.2 0.74 Allowed 'Trans proline' 0 N--CA 1.486 1.077 0 O-C-N 123.435 1.229 . . . . 0.0 110.168 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.27 85.39 2.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.86 -0.525 . . . . 0.0 110.286 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -158.23 151.83 19.28 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.575 -0.703 . . . . 0.0 110.096 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.78 170.21 20.14 Favored 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.445 1.234 . . . . 0.0 110.378 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -104.15 33.08 3.63 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.636 -0.665 . . . . 0.0 110.294 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.14 -160.75 38.82 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -119.5 -167.94 1.5 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.618 -0.931 . . . . 0.0 110.238 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.4 mtt -148.74 115.59 6.02 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.539 -0.726 . . . . 0.0 110.181 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -78.05 179.79 6.59 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.53 -0.732 . . . . 0.0 110.245 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.1 p -71.81 -28.61 63.7 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.62 -0.675 . . . . 0.0 110.205 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -74.12 -28.83 61.53 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.555 -0.716 . . . . 0.0 110.146 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.99 -45.4 61.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.59 -0.694 . . . . 0.0 110.102 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -62.23 -29.07 70.13 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.541 -0.724 . . . . 0.0 110.101 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.86 -59.81 4.34 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.622 -0.674 . . . . 0.0 110.215 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.81 -29.6 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.592 -0.692 . . . . 0.0 109.88 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -69.46 -33.43 72.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.543 -0.723 . . . . 0.0 110.093 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.3 m -89.24 -29.28 19.35 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.6 -0.688 . . . . 0.0 110.137 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.6 m -79.63 -29.54 41.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.6 -0.688 . . . . 0.0 110.108 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -33.21 43.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.629 -0.669 . . . . 0.0 110.09 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.14 -28.93 68.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.643 -0.66 . . . . 0.0 110.15 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -96.01 24.35 5.62 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.491 -0.756 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -104.49 -45.36 4.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.462 -0.774 . . . . 0.0 110.121 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -61.17 -26.86 68.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.677 -0.639 . . . . 0.0 110.413 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -59.7 -27.06 66.11 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.477 -0.765 . . . . 0.0 110.491 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -131.4 21.01 4.76 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.469 -0.769 . . . . 0.0 110.818 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 80.3 m-70 -145.33 75.56 13.67 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.393 -0.817 . . . . 0.0 110.123 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.05 -46.27 0.39 Allowed 'Trans proline' 0 C--N 1.318 -1.074 0 O-C-N 123.283 1.149 . . . . 0.0 110.407 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.01 64.54 0.68 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.574 -0.704 . . . . 0.0 110.191 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -153.12 -49.69 0.1 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.453 -0.78 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 m 54.79 174.56 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.42 -0.8 . . . . 0.0 110.753 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.7 m -147.92 120.61 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.734 -0.604 . . . . 0.0 110.53 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -90.53 51.49 2.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.554 -0.716 . . . . 0.0 109.818 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 56.94 -84.9 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.81 -0.556 . . . . 0.0 110.892 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.63 -23.46 2.61 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.787 -1.196 . . . . 0.0 112.041 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -77.77 -18.1 56.8 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.439 -0.904 . . . . 0.0 109.786 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -120.28 -43.51 2.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.486 -0.759 . . . . 0.0 109.636 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.7 p -56.77 -22.8 38.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.835 -0.541 . . . . 0.0 109.966 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -71.74 -31.11 66.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.575 -0.703 . . . . 0.0 110.0 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.58 -37.67 20.88 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.567 -0.708 . . . . 0.0 110.196 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.4 m -60.93 -32.63 72.13 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.519 -0.738 . . . . 0.0 110.078 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -64.07 -36.73 84.98 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.476 -0.765 . . . . 0.0 109.851 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.79 -28.77 69.79 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.542 -0.724 . . . . 0.0 109.958 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -91.16 -38.81 12.49 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.584 -0.698 . . . . 0.0 110.074 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.41 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 60.4 t-105 -62.44 -53.24 57.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.586 -0.697 . . . . 0.0 110.126 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -62.81 -26.15 68.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.554 -0.716 . . . . 0.0 110.553 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.3 p -92.79 -17.66 23.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.516 -0.74 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.3 mmm -56.1 152.67 10.21 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.31 -0.868 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 t -80.11 163.67 23.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.583 -0.698 . . . . 0.0 110.36 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.67 -26.27 66.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.596 -0.69 . . . . 0.0 110.294 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -69.28 -31.16 69.49 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.482 -0.761 . . . . 0.0 109.729 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -92.63 -38.41 11.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.681 -0.637 . . . . 0.0 109.887 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.41 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 19.3 mtmt -67.44 -22.39 65.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.644 -0.66 . . . . 0.0 110.271 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.2 p -70.37 -30.38 67.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.448 -0.783 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -62.28 -29.03 70.14 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.626 -0.671 . . . . 0.0 110.204 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -89.53 -28.76 19.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.636 -0.665 . . . . 0.0 110.194 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -76.78 -28.94 55.85 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.639 -0.663 . . . . 0.0 110.239 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -70.68 -31.63 68.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.571 -0.706 . . . . 0.0 110.084 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -29.08 32.08 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.617 -0.677 . . . . 0.0 110.05 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.95 -29.38 43.94 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.649 -0.657 . . . . 0.0 110.198 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -78.14 -28.84 48.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.595 -0.691 . . . . 0.0 110.156 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.7 t -72.2 -30.98 65.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.662 -0.649 . . . . 0.0 110.114 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -83.07 -29.58 28.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.619 -0.675 . . . . 0.0 110.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -68.29 -30.08 69.0 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.647 -0.658 . . . . 0.0 110.136 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.26 -28.77 23.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.601 -0.687 . . . . 0.0 110.224 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -74.58 -28.65 61.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.524 -0.735 . . . . 0.0 110.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 75' ' ' MET . 37.1 t80 -76.71 -28.86 56.01 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.572 -0.705 . . . . 0.0 110.191 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.83 -31.12 69.87 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.56 -0.712 . . . . 0.0 110.044 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -88.7 -33.97 17.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.635 -0.665 . . . . 0.0 110.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.85 -37.52 87.9 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.576 -0.702 . . . . 0.0 110.225 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.403 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 5.8 mmt -89.76 -57.89 2.71 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.605 -0.684 . . . . 0.0 110.24 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.72 -176.56 4.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.559 -0.713 . . . . 0.0 110.285 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 t30 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.179 -179.924 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ttt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.057 0.455 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.83 96.93 0.14 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -154.48 45.08 0.54 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.54 -0.976 . . . . 0.0 110.253 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.56 -142.14 0.07 OUTLIER Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.611 -1.395 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.439 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.59 -60.14 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.536 -0.979 . . . . 0.0 110.306 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.3 Cg_endo -72.69 -42.31 1.24 Allowed 'Trans proline' 0 N--CA 1.488 1.198 0 O-C-N 123.098 1.052 . . . . 0.0 109.91 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.34 -70.45 0.78 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 122.004 -0.435 . . . . 0.0 110.284 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -61.03 111.57 4.38 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.582 -0.699 . . . . 0.0 110.087 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.54 178.1 6.64 Favored 'Trans proline' 0 N--CA 1.485 0.975 0 O-C-N 123.093 1.049 . . . . 0.0 110.229 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -67.41 152.44 45.68 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.547 -0.72 . . . . 0.0 110.184 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.25 142.49 22.21 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -92.39 -168.04 1.89 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.56 -0.965 . . . . 0.0 110.144 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.6 mtt -134.64 -162.61 1.27 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.54 -0.725 . . . . 0.0 109.803 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -139.94 179.34 6.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.535 -0.728 . . . . 0.0 110.1 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.3 p -59.72 -29.51 68.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.53 -0.732 . . . . 0.0 110.418 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -70.71 -30.47 67.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.595 -0.691 . . . . 0.0 110.2 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.56 -37.8 27.15 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.578 -0.702 . . . . 0.0 110.157 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -65.08 -29.23 70.08 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.656 -0.653 . . . . 0.0 110.143 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 49' ' ' TRP . 32.3 t80 -61.38 -51.49 68.58 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.628 -0.67 . . . . 0.0 110.139 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.73 -29.64 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.579 -0.7 . . . . 0.0 109.907 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -70.03 -36.06 74.79 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.603 -0.686 . . . . 0.0 110.101 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -84.47 -29.43 26.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.567 -0.708 . . . . 0.0 110.055 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.6 m -78.89 -29.66 44.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.618 -0.676 . . . . 0.0 110.174 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -41.26 69.45 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.527 -0.733 . . . . 0.0 109.982 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -63.74 -33.27 75.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.58 -0.7 . . . . 0.0 109.828 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.21 -12.36 59.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.663 -0.648 . . . . 0.0 110.833 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.497 ' CD2' ' CD2' ' A' ' 31' ' ' HIS . 14.3 t60 -90.63 17.29 7.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.267 -0.895 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -111.97 22.76 14.52 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.245 -0.909 . . . . 0.0 110.586 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -114.62 -30.83 6.38 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.374 -0.829 . . . . 0.0 110.152 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 1.5 ptmm? -126.73 31.15 5.37 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.625 -0.672 . . . . 0.0 110.423 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CD2' ' CD2' ' A' ' 27' ' ' HIS . 81.9 m-70 -145.61 80.12 10.9 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.595 -0.691 . . . . 0.0 110.253 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.8 -50.8 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.04 0 O-C-N 123.405 1.213 . . . . 0.0 110.372 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.13 58.53 1.18 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.577 -0.702 . . . . 0.0 110.061 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.5 t -111.03 -22.33 11.53 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.568 -0.707 . . . . 0.0 110.605 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m 54.97 98.0 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.259 -0.901 . . . . 0.0 110.514 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -107.53 77.63 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.606 -0.684 . . . . 0.0 110.444 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -59.36 -173.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.399 -0.813 . . . . 0.0 109.829 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -76.08 -47.66 23.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.384 -0.822 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.58 74.97 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.312 -0.868 . . . . 0.0 110.679 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.61 -16.93 59.04 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.225 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -115.5 -46.04 2.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.324 -0.86 . . . . 0.0 110.63 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.1 p -56.54 -23.35 39.42 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.524 -0.735 . . . . 0.0 110.203 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -68.09 -29.77 68.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.554 -0.716 . . . . 0.0 109.762 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -92.08 -45.86 8.08 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.567 -0.708 . . . . 0.0 110.177 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 72.6 m -61.38 -29.42 69.91 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.549 -0.719 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.4 p -72.64 -33.51 66.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.565 -0.709 . . . . 0.0 109.796 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -72.68 -31.03 64.73 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.606 -0.684 . . . . 0.0 109.738 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -89.81 -38.78 13.53 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.722 -0.611 . . . . 0.0 109.863 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.423 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 61.6 t-105 -61.36 -48.62 80.47 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.586 -0.696 . . . . 0.0 109.849 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -65.77 -26.4 67.7 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.67 -0.644 . . . . 0.0 110.432 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.1 p -101.04 -0.6 36.1 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.478 -0.764 . . . . 0.0 111.054 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.1 mmm -61.72 163.1 7.69 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.207 -0.933 . . . . 0.0 110.167 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -88.45 166.74 14.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.626 -0.671 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.26 -19.93 65.58 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.633 -0.667 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -74.16 -30.4 62.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.311 -0.868 . . . . 0.0 109.905 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -95.94 -34.54 11.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.642 -0.661 . . . . 0.0 109.996 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -74.05 -25.15 59.68 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.629 -0.67 . . . . 0.0 110.29 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.3 p -71.47 -29.38 64.77 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.482 -0.761 . . . . 0.0 110.238 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -62.93 -29.01 70.46 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.547 -0.72 . . . . 0.0 110.178 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -94.79 -28.89 15.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.594 -0.691 . . . . 0.0 110.202 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.56 -29.03 65.37 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.534 -0.729 . . . . 0.0 110.184 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.46 -28.14 23.66 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.581 -0.7 . . . . 0.0 110.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.6 mtp -78.03 -28.57 49.06 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.598 -0.688 . . . . 0.0 110.176 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.14 22.97 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.571 -0.705 . . . . 0.0 110.176 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -68.83 -29.66 68.04 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.559 -0.713 . . . . 0.0 110.156 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.5 t -63.94 -36.3 83.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.556 -0.715 . . . . 0.0 110.14 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.1 -28.69 21.14 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.584 -0.698 . . . . 0.0 110.273 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -60.39 -28.25 68.08 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.567 -0.708 . . . . 0.0 110.381 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.07 -29.09 60.58 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.557 -0.715 . . . . 0.0 110.242 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -61.58 -26.48 67.99 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.567 -0.708 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -59.72 -28.55 67.43 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.521 -0.737 . . . . 0.0 110.33 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -83.96 -31.86 25.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.63 -0.669 . . . . 0.0 110.181 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -99.09 42.51 1.1 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -125.9 -41.39 1.96 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.55 -0.719 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.2 mmm -82.84 -39.21 21.96 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.623 -0.673 . . . . 0.0 110.217 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -146.19 142.01 28.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.523 -0.736 . . . . 0.0 110.32 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.234 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.067 0.461 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.95 50.11 5.7 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -155.02 -51.85 0.09 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.582 -0.952 . . . . 0.0 110.204 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.32 -139.55 10.76 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -154.23 62.19 3.64 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.555 -0.968 . . . . 0.0 110.24 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.17 -42.88 0.84 Allowed 'Trans proline' 0 C--N 1.317 -1.09 0 O-C-N 123.382 1.201 . . . . 0.0 110.09 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.57 -48.71 0.64 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.876 -0.515 . . . . 0.0 110.192 -178.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -95.05 161.18 29.1 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.592 -0.692 . . . . 0.0 110.286 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.69 -175.72 1.98 Allowed 'Trans proline' 0 C--N 1.316 -1.183 0 O-C-N 123.426 1.224 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -90.96 -177.87 5.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.563 -0.711 . . . . 0.0 110.132 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.85 -143.98 0.41 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -124.49 -168.57 1.83 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.523 -0.987 . . . . 0.0 110.167 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.42 99.76 6.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.665 -0.647 . . . . 0.0 110.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.4 t -81.11 -176.82 6.16 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.678 -0.639 . . . . 0.0 110.134 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.4 p -70.02 -28.75 65.75 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.587 -0.695 . . . . 0.0 110.156 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -67.33 -29.32 68.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.607 -0.683 . . . . 0.0 110.073 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.6 -36.18 52.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.521 -0.737 . . . . 0.0 110.037 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -73.82 -29.22 62.03 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.58 -0.7 . . . . 0.0 110.084 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -62.45 -52.74 62.32 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.605 -0.684 . . . . 0.0 110.143 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.51 -29.59 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.607 -0.683 . . . . 0.0 109.802 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -68.5 -32.87 73.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.544 -0.722 . . . . 0.0 110.082 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.6 m -85.85 -29.41 23.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.61 -0.681 . . . . 0.0 110.129 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 m -84.97 -28.03 26.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.592 -0.692 . . . . 0.0 110.238 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -43.12 48.39 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.528 -0.733 . . . . 0.0 110.106 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.58 -28.19 65.33 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.474 -0.766 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -87.16 -26.83 23.39 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.537 -0.727 . . . . 0.0 110.155 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.405 ' CD2' HG21 ' A' ' 36' ' ' VAL . 13.1 t60 -69.16 -10.21 56.6 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.519 -0.738 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -91.87 20.62 5.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.124 -0.985 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -117.41 -17.01 10.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.359 -0.838 . . . . 0.0 110.824 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -139.5 26.23 2.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.253 -0.905 . . . . 0.0 110.631 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 85.2 m-70 -145.97 72.63 13.57 Favored Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.555 -0.715 . . . . 0.0 110.245 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.91 -50.74 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.062 0 O-C-N 123.351 1.185 . . . . 0.0 110.435 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.7 48.93 0.93 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.587 -0.695 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 t -113.47 -28.75 7.42 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.545 -0.722 . . . . 0.0 110.231 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 m 52.82 96.03 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.406 -0.809 . . . . 0.0 110.73 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.405 HG21 ' CD2' ' A' ' 27' ' ' HIS . 75.5 t -92.08 100.34 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.639 -0.663 . . . . 0.0 110.262 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -94.46 46.85 1.16 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.568 -0.708 . . . . 0.0 109.608 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 60.13 -78.59 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.945 -0.472 . . . . 0.0 111.007 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.47 -27.78 7.16 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.996 -1.065 . . . . 0.0 111.776 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -73.53 -18.2 61.12 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.811 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -117.93 -44.63 2.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.463 -0.773 . . . . 0.0 109.963 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 p -55.53 -23.8 28.47 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.675 -0.641 . . . . 0.0 110.002 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -68.45 -30.11 68.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.654 -0.654 . . . . 0.0 109.752 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -86.8 -42.51 13.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.652 -0.655 . . . . 0.0 110.157 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 66.1 m -60.93 -28.41 68.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.584 -0.698 . . . . 0.0 110.128 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.5 p -72.06 -30.21 64.92 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.542 -0.724 . . . . 0.0 109.94 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.06 -30.27 63.59 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.63 -0.669 . . . . 0.0 109.837 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -90.85 -37.18 13.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.566 -0.709 . . . . 0.0 109.905 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -64.96 -37.44 87.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.626 -0.671 . . . . 0.0 110.024 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -79.92 -24.73 40.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.582 -0.698 . . . . 0.0 110.616 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.6 p -94.39 -21.98 18.6 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.437 -0.79 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.0 mtp -57.7 165.88 1.54 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.307 -0.871 . . . . 0.0 110.386 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -104.3 -168.68 1.52 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.6 -0.688 . . . . 0.0 110.365 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.87 -8.51 57.48 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.553 -0.717 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -74.66 -30.74 61.7 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.259 -0.901 . . . . 0.0 109.794 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -102.18 -37.42 8.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.703 -0.623 . . . . 0.0 109.926 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -67.81 -26.57 66.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.708 -0.62 . . . . 0.0 110.241 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 p -64.61 -32.19 73.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.508 -0.745 . . . . 0.0 110.273 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -68.87 -29.22 67.47 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.526 -0.734 . . . . 0.0 110.163 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -93.91 -28.8 15.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.57 -0.706 . . . . 0.0 110.185 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.71 -28.76 62.86 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.555 -0.716 . . . . 0.0 110.169 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.06 -28.72 48.92 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.494 -0.754 . . . . 0.0 110.146 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.2 mmt -81.14 -28.94 34.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.614 -0.679 . . . . 0.0 110.163 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.48 -41.37 60.85 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.589 -0.695 . . . . 0.0 110.115 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -65.15 -30.55 71.48 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.575 -0.703 . . . . 0.0 110.065 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -63.23 -37.49 87.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.646 -0.659 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -87.04 -32.44 19.99 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.589 -0.694 . . . . 0.0 110.089 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -65.29 -29.15 69.88 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.632 -0.667 . . . . 0.0 110.088 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.86 -25.53 35.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.687 -0.633 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -98.21 24.46 7.15 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.516 -0.74 . . . . 0.0 110.594 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.13 31.1 1.97 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.399 -0.813 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -111.2 -33.06 6.56 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.646 -0.659 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -98.13 31.66 2.67 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.627 -0.671 . . . . 0.0 110.249 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.75 -34.26 5.85 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.638 -0.664 . . . . 0.0 110.26 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 51.1 mtm -94.08 -28.77 15.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.581 -0.699 . . . . 0.0 110.173 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.2 -37.39 75.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.544 -0.723 . . . . 0.0 110.148 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.235 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 ttt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.109 0.48 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.21 55.17 0.3 Allowed Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -101.12 133.3 45.86 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.559 -0.965 . . . . 0.0 110.218 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.56 -173.15 36.53 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -153.19 161.33 29.39 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.564 -0.963 . . . . 0.0 110.242 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -73.33 -42.87 0.8 Allowed 'Trans proline' 0 N--CA 1.487 1.117 0 O-C-N 123.487 1.256 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.54 -41.13 2.03 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.064 0.459 . . . . 0.0 110.177 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -62.75 155.18 71.8 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.537 -0.727 . . . . 0.0 110.138 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.57 -177.68 2.93 Favored 'Trans proline' 0 C--N 1.316 -1.135 0 O-C-N 123.444 1.234 . . . . 0.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -101.01 159.36 15.28 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.491 -0.756 . . . . 0.0 110.176 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.56 -143.49 0.06 OUTLIER Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -136.77 -168.96 2.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.596 -0.944 . . . . 0.0 110.213 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.0 ttm -161.11 123.46 3.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.651 -0.655 . . . . 0.0 110.166 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 t -82.35 -179.84 7.55 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.617 -0.677 . . . . 0.0 110.242 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.5 p -69.07 -28.73 66.79 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.568 -0.707 . . . . 0.0 110.177 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -70.78 -29.15 65.28 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.616 -0.677 . . . . 0.0 110.184 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.53 -30.28 52.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.491 -0.756 . . . . 0.0 110.045 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -76.99 -29.41 55.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.536 -0.727 . . . . 0.0 110.088 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -62.17 -56.69 16.21 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.576 -0.703 . . . . 0.0 109.949 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.34 -31.39 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.594 -0.691 . . . . 0.0 109.629 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.14 -51.29 39.87 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.579 -0.701 . . . . 0.0 109.832 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 m -69.88 -30.69 68.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.61 -0.681 . . . . 0.0 109.685 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -73.38 -28.65 62.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.622 -0.674 . . . . 0.0 109.917 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -69.18 -42.74 75.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.511 -0.743 . . . . 0.0 109.682 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -62.87 -46.8 86.17 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.625 -0.672 . . . . 0.0 109.643 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -62.74 -25.02 67.98 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.721 -0.612 . . . . 0.0 110.027 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 56.2 t60 -95.23 36.3 1.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.514 -0.741 . . . . 0.0 110.113 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -130.12 25.01 5.24 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.135 -0.978 . . . . 0.0 110.885 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -108.39 -60.29 1.75 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.392 -0.817 . . . . 0.0 110.1 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.54 62.07 0.61 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.589 -0.694 . . . . 0.0 110.024 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 13.6 m80 -144.95 54.2 2.4 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 121.368 -0.833 . . . . 0.0 109.782 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.1 Cg_endo -72.36 -49.42 0.28 Allowed 'Trans proline' 0 C--N 1.318 -1.031 0 O-C-N 123.372 1.196 . . . . 0.0 110.431 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -101.89 40.39 1.33 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.597 -0.689 . . . . 0.0 110.236 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -132.14 126.69 34.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.596 -0.69 . . . . 0.0 110.214 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -91.04 145.3 24.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.564 -0.71 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.18 63.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.61 -0.681 . . . . 0.0 110.312 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -58.75 175.02 0.29 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.486 -0.759 . . . . 0.0 109.856 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -63.93 -43.45 95.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.279 -0.888 . . . . 0.0 110.357 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.07 -42.36 72.88 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.23 -0.919 . . . . 0.0 110.659 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.02 -15.5 59.55 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.164 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -113.09 -42.85 3.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 110.805 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.5 p -57.68 -21.69 41.65 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.55 -0.719 . . . . 0.0 110.033 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -88.54 -27.98 21.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.527 -0.733 . . . . 0.0 110.341 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.03 -36.83 21.0 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.527 -0.733 . . . . 0.0 110.841 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.1 p -59.45 -31.53 69.39 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.318 -0.864 . . . . 0.0 110.264 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.6 p -61.28 -36.12 79.18 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.602 -0.687 . . . . 0.0 110.192 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -62.06 -29.36 70.24 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.66 -0.65 . . . . 0.0 110.134 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -94.32 -38.58 10.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.682 -0.636 . . . . 0.0 110.119 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -63.08 -44.29 96.14 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.571 -0.706 . . . . 0.0 110.147 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -66.94 -28.41 68.26 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.666 -0.646 . . . . 0.0 110.21 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.9 p -85.76 -24.21 26.97 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.606 -0.684 . . . . 0.0 110.492 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.6 mmm -58.19 152.65 16.62 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.388 -0.82 . . . . 0.0 110.455 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.1 m -102.97 -176.13 3.0 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.619 -0.675 . . . . 0.0 110.274 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.57 -21.82 62.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.665 -0.647 . . . . 0.0 110.675 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -69.55 -29.98 67.68 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.394 -0.816 . . . . 0.0 109.933 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -99.94 -41.83 7.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.586 -0.697 . . . . 0.0 110.023 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -60.22 -23.86 64.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.663 -0.648 . . . . 0.0 110.384 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -63.6 -31.55 72.76 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.441 -0.787 . . . . 0.0 110.278 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -69.15 -30.39 68.62 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.57 -0.706 . . . . 0.0 110.185 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -88.55 -28.79 20.51 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.571 -0.706 . . . . 0.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -79.17 -28.91 42.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.617 -0.677 . . . . 0.0 110.149 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -76.23 -29.14 57.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.623 -0.673 . . . . 0.0 110.147 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.9 mmt -81.63 -29.78 33.08 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.601 -0.687 . . . . 0.0 110.144 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.09 -29.4 34.91 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.642 -0.661 . . . . 0.0 110.154 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -72.9 -30.0 63.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.622 -0.674 . . . . 0.0 110.135 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -63.89 -37.78 88.65 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.606 -0.684 . . . . 0.0 110.054 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.3 -29.29 21.71 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.626 -0.672 . . . . 0.0 110.127 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.73 -30.11 65.26 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.666 -0.646 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.84 -29.09 22.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.66 -0.65 . . . . 0.0 110.246 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -63.17 -31.05 72.1 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.499 -0.751 . . . . 0.0 110.109 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -63.92 -29.38 70.56 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.53 -0.732 . . . . 0.0 110.083 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.93 46.66 1.18 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.543 -0.723 . . . . 0.0 110.211 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -152.1 -44.59 0.11 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.652 -0.655 . . . . 0.0 110.224 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.34 -29.45 62.67 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.573 -0.705 . . . . 0.0 110.188 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 56.3 mmm -85.35 -48.92 8.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.54 -0.725 . . . . 0.0 110.174 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -106.03 107.18 18.05 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.614 -0.679 . . . . 0.0 110.251 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.193 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.168 0.509 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.25 -87.75 1.56 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.44 109.9 21.95 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.561 -0.964 . . . . 0.0 110.209 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.65 -31.25 8.38 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -86.6 164.57 36.9 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.558 -0.966 . . . . 0.0 110.259 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -73.11 -43.15 0.78 Allowed 'Trans proline' 0 C--N 1.318 -1.076 0 O-C-N 123.35 1.184 . . . . 0.0 110.056 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.82 88.58 2.58 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.864 -0.523 . . . . 0.0 110.219 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -160.56 143.01 9.58 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.585 -0.697 . . . . 0.0 110.192 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.88 158.07 46.78 Favored 'Trans proline' 0 C--N 1.319 -1.021 0 O-C-N 123.303 1.159 . . . . 0.0 110.368 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -65.42 -178.39 0.51 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.623 -0.673 . . . . 0.0 110.211 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.24 177.4 52.97 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -169.17 1.67 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.59 -0.947 . . . . 0.0 110.158 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 61.6 mtt -103.01 -168.52 1.53 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.592 -0.692 . . . . 0.0 110.167 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.0 t -162.87 178.84 8.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.622 -0.674 . . . . 0.0 110.225 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -63.03 -29.07 70.53 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.545 -0.722 . . . . 0.0 110.227 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -76.51 -30.6 57.25 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.98 -29.37 39.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.709 . . . . 0.0 110.14 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -81.0 -29.25 35.22 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.576 -0.702 . . . . 0.0 110.121 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -62.19 -47.31 85.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.621 -0.674 . . . . 0.0 109.943 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.47 -35.03 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.585 -0.697 . . . . 0.0 109.803 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.2 -58.61 5.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.518 -0.739 . . . . 0.0 109.969 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.6 m -63.14 -29.61 70.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.516 -0.74 . . . . 0.0 109.996 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 m -75.87 -29.87 58.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.615 -0.678 . . . . 0.0 110.101 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -78.25 -35.53 48.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.574 -0.704 . . . . 0.0 110.054 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.85 -50.18 73.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.602 -0.687 . . . . 0.0 109.893 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.48 -27.15 68.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.688 -0.633 . . . . 0.0 110.11 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -68.49 -28.95 67.47 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.473 -0.767 . . . . 0.0 110.089 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -80.66 60.22 3.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.587 -0.696 . . . . 0.0 110.156 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -152.88 -44.65 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.61 -0.681 . . . . 0.0 110.038 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 13.6 ptpt -119.83 31.66 6.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.679 -0.638 . . . . 0.0 110.246 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 84.3 m-70 -146.08 60.17 6.14 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.682 -0.636 . . . . 0.0 110.021 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.81 -48.1 0.31 Allowed 'Trans proline' 0 C--N 1.317 -1.08 0 O-C-N 123.298 1.157 . . . . 0.0 110.538 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -94.75 59.85 2.44 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.566 -0.708 . . . . 0.0 110.244 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -152.27 -158.83 0.94 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.552 -0.717 . . . . 0.0 110.235 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 m -154.53 161.28 41.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.616 -0.678 . . . . 0.0 110.017 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.37 68.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.574 -0.704 . . . . 0.0 110.439 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -60.43 176.18 0.38 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.49 -0.756 . . . . 0.0 109.618 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -66.78 -42.43 86.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.275 -0.891 . . . . 0.0 110.335 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.38 -43.42 70.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.256 -0.903 . . . . 0.0 110.726 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.02 -16.29 59.32 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.178 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -112.06 -43.7 3.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.259 -0.9 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -55.8 -23.22 28.81 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.433 -0.792 . . . . 0.0 109.984 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -86.61 -26.74 24.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.485 -0.759 . . . . 0.0 110.186 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -84.4 -40.68 17.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.484 -0.76 . . . . 0.0 110.759 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.3 p -57.98 -30.29 65.92 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.4 -0.813 . . . . 0.0 110.318 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.0 p -70.97 -36.31 72.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.691 -0.631 . . . . 0.0 109.932 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.16 -25.03 63.55 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.64 -0.662 . . . . 0.0 110.208 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -102.73 -31.48 10.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.513 -0.742 . . . . 0.0 110.046 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -71.86 -29.63 64.58 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.638 -0.664 . . . . 0.0 110.1 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -27.47 61.93 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.558 -0.714 . . . . 0.0 110.18 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 t -112.25 4.09 17.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.774 . . . . 0.0 111.165 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -168.68 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.203 -0.935 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 m -128.43 152.1 48.6 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.608 -0.683 . . . . 0.0 110.238 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.93 -26.12 9.68 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.608 -0.683 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -76.58 -29.77 56.75 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.538 -0.726 . . . . 0.0 110.078 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -81.01 -28.73 35.34 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.607 -0.683 . . . . 0.0 110.19 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -97.36 4.18 50.81 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.625 -0.672 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.1 p -65.85 -29.09 69.49 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.125 -0.984 . . . . 0.0 110.062 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -78.27 -29.61 48.09 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.544 -0.722 . . . . 0.0 110.096 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -85.25 -30.48 23.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.579 -0.7 . . . . 0.0 110.126 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.83 -29.25 65.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.636 -0.665 . . . . 0.0 110.124 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.4 -28.56 26.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.613 -0.679 . . . . 0.0 110.227 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.2 mmm -77.57 -28.73 51.81 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.582 -0.699 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.8 -28.99 40.17 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.542 -0.724 . . . . 0.0 110.22 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -81.13 -28.63 35.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.532 -0.73 . . . . 0.0 110.247 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.1 t -74.49 -29.89 61.6 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.587 -0.696 . . . . 0.0 110.127 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.8 -31.5 23.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.613 -0.68 . . . . 0.0 110.19 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.15 -28.64 68.94 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.606 -0.684 . . . . 0.0 110.212 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.44 -29.27 66.94 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.609 -0.682 . . . . 0.0 110.221 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 ttt85 -65.91 -30.74 71.38 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.541 -0.724 . . . . 0.0 110.126 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -65.52 -26.41 67.89 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.606 -0.684 . . . . 0.0 110.365 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.29 -37.39 80.36 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.533 -0.729 . . . . 0.0 110.32 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -118.13 52.03 1.04 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.59 -0.694 . . . . 0.0 110.21 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -100.4 -49.15 4.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.538 -0.726 . . . . 0.0 110.19 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.3 mmt -110.47 37.06 2.85 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.513 -0.742 . . . . 0.0 110.257 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -100.18 -39.09 8.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.599 -0.688 . . . . 0.0 110.216 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.198 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtm . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.124 0.488 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.6 125.58 8.56 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -158.14 41.46 0.27 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.517 -0.99 . . . . 0.0 110.05 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.0 -50.01 3.39 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.31 161.47 23.23 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.576 -0.955 . . . . 0.0 110.239 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.68 -43.66 0.61 Allowed 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.375 1.197 . . . . 0.0 110.215 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.35 47.26 2.51 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.18 0.514 . . . . 0.0 110.359 -178.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -156.83 150.21 18.9 Favored Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.493 -0.754 . . . . 0.0 110.121 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.69 178.34 6.44 Favored 'Trans proline' 0 C--N 1.318 -1.046 0 O-C-N 123.324 1.17 . . . . 0.0 110.511 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -96.55 176.03 6.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.619 -0.676 . . . . 0.0 110.178 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.61 159.62 38.23 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -81.23 -176.01 5.75 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.578 -0.954 . . . . 0.0 110.179 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.1 mtt -153.21 118.76 5.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.57 -0.706 . . . . 0.0 110.158 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -78.44 179.93 6.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.562 -0.711 . . . . 0.0 110.057 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p -70.29 -28.47 65.22 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.689 -0.632 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -73.51 -32.2 64.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.537 -0.727 . . . . 0.0 110.128 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.9 -46.65 64.96 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.596 -0.69 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.47 -29.16 70.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.636 -0.665 . . . . 0.0 110.098 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.67 -61.35 2.57 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.575 -0.703 . . . . 0.0 110.07 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.0 -29.94 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.55 -0.719 . . . . 0.0 109.744 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -68.43 -50.28 53.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.647 -0.658 . . . . 0.0 110.016 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.0 m -66.56 -29.17 69.19 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.579 -0.701 . . . . 0.0 110.023 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -80.66 -21.18 41.62 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.599 -0.688 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -45.05 65.52 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.402 -0.811 . . . . 0.0 109.684 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -65.93 -43.84 86.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.753 -0.592 . . . . 0.0 109.821 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.44 -26.11 67.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.655 -0.653 . . . . 0.0 110.041 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.499 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 41.2 t60 -96.48 38.88 1.18 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.549 -0.72 . . . . 0.0 110.068 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.3 tttt -124.24 33.56 5.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.386 -0.821 . . . . 0.0 110.649 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.61 -60.42 1.85 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.808 . . . . 0.0 110.214 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.15 64.89 0.64 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.564 -0.71 . . . . 0.0 110.202 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' CD2' ' CE1' ' A' ' 27' ' ' HIS . 16.6 m80 -145.38 60.56 6.95 Favored Pre-proline 0 N--CA 1.501 2.086 0 O-C-N 121.287 -0.883 . . . . 0.0 109.916 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.5 -50.12 0.25 Allowed 'Trans proline' 0 C--N 1.317 -1.131 0 O-C-N 123.248 1.131 . . . . 0.0 110.369 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -122.47 48.32 1.78 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.556 -0.715 . . . . 0.0 110.194 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 t -95.02 -20.58 19.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.676 -0.64 . . . . 0.0 110.734 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 p 52.26 42.17 30.72 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.371 -0.831 . . . . 0.0 110.805 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.89 69.2 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.58 -0.7 . . . . 0.0 110.349 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -58.88 -177.9 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.385 -0.822 . . . . 0.0 109.763 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -67.36 -42.74 82.96 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.22 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.5 -41.86 68.74 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.182 -0.949 . . . . 0.0 110.535 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -15.82 58.95 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.021 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -113.38 -45.82 3.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 110.893 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.9 p -56.41 -24.0 42.07 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.533 -0.729 . . . . 0.0 110.216 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -76.22 -30.0 57.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.641 -0.662 . . . . 0.0 109.733 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -85.13 -43.11 14.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.575 -0.703 . . . . 0.0 110.196 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 50.8 m -61.31 -29.78 70.09 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.538 -0.726 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -69.98 -34.44 73.36 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.574 -0.704 . . . . 0.0 109.809 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.5 -28.55 69.92 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.624 -0.672 . . . . 0.0 110.017 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -93.05 -40.43 10.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.592 -0.692 . . . . 0.0 109.952 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -61.93 -45.36 94.03 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.589 -0.694 . . . . 0.0 109.817 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -67.23 -27.27 67.09 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.565 -0.709 . . . . 0.0 110.388 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -103.48 3.27 34.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.522 -0.736 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.0 mmm -69.03 141.6 54.79 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.126 -0.984 . . . . 0.0 110.166 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.0 m -66.65 153.21 43.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.537 -0.727 . . . . 0.0 110.266 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.93 67.95 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.652 -0.655 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -73.67 -28.37 61.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.582 -0.699 . . . . 0.0 110.161 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.47 -52.4 7.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.591 -0.693 . . . . 0.0 110.148 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -62.1 -18.69 61.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.563 -0.71 . . . . 0.0 110.815 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.8 p -55.79 -27.14 49.59 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.233 -0.917 . . . . 0.0 110.628 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -75.7 -29.45 58.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.567 -0.708 . . . . 0.0 110.081 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -85.08 -29.48 24.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.587 -0.696 . . . . 0.0 110.092 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -76.68 -29.57 56.38 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.626 -0.671 . . . . 0.0 110.137 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.26 -29.15 42.47 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.556 -0.715 . . . . 0.0 110.118 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.5 mtp -78.96 -30.2 44.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.601 -0.687 . . . . 0.0 110.096 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.8 46.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.648 -0.657 . . . . 0.0 110.1 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -73.25 -29.8 63.02 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 110.104 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.1 t -62.91 -35.83 81.35 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.576 -0.702 . . . . 0.0 110.048 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.1 -30.94 23.62 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.615 -0.678 . . . . 0.0 110.09 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -70.32 -33.57 71.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.569 -0.707 . . . . 0.0 110.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.3 -29.53 28.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.587 -0.696 . . . . 0.0 110.181 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -69.47 -28.54 66.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.52 -0.738 . . . . 0.0 110.182 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.08 -29.62 69.85 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.591 -0.693 . . . . 0.0 110.157 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -96.9 37.48 1.3 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.667 -0.645 . . . . 0.0 110.218 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -150.83 -59.95 0.18 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.557 -0.715 . . . . 0.0 110.281 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -68.99 -33.18 73.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.619 -0.676 . . . . 0.0 110.256 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -30.28 58.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.527 -0.733 . . . . 0.0 110.219 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -87.11 176.93 7.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.59 -0.694 . . . . 0.0 110.193 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 t30 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.214 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtp . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.051 0.453 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.06 -172.55 36.57 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttp 52.95 46.86 25.92 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.412 -1.052 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.83 169.48 26.14 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.44 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.22 -60.36 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.527 -0.984 . . . . 0.0 110.371 179.781 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.3 Cg_endo -73.2 -43.17 0.76 Allowed 'Trans proline' 0 N--CA 1.487 1.094 0 O-C-N 123.02 1.01 . . . . 0.0 110.225 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.48 -49.65 1.65 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.953 -0.467 . . . . 0.0 110.333 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -76.82 145.0 73.7 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.497 -0.752 . . . . 0.0 110.128 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.03 170.26 20.22 Favored 'Trans proline' 0 C--N 1.318 -1.07 0 O-C-N 123.353 1.186 . . . . 0.0 110.457 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -167.27 41.45 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.57 -0.706 . . . . 0.0 110.157 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.62 162.11 36.82 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -91.07 -168.21 2.01 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.643 -0.916 . . . . 0.0 110.179 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttm -160.85 -162.76 0.96 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.586 -0.697 . . . . 0.0 110.139 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 t -146.25 178.34 8.32 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.579 -0.7 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -70.45 -28.57 65.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.52 -0.738 . . . . 0.0 110.164 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -69.72 -28.4 65.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.555 -0.716 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.9 -31.42 56.72 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.552 -0.717 . . . . 0.0 110.113 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -82.74 -28.83 30.18 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.543 -0.723 . . . . 0.0 110.246 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -66.26 -38.63 88.29 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 0.0 110.141 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.9 t -80.27 -33.15 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.528 -0.733 . . . . 0.0 109.951 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -69.5 -29.14 66.71 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.551 -0.718 . . . . 0.0 110.198 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.8 m -84.26 -29.38 26.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.587 -0.696 . . . . 0.0 110.224 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 m -89.71 -29.37 18.79 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.605 -0.684 . . . . 0.0 110.188 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.83 -37.65 58.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.524 -0.735 . . . . 0.0 110.059 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -66.34 -33.62 76.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.603 -0.686 . . . . 0.0 110.06 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -88.96 -0.07 57.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.49 -0.757 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -86.4 -53.32 5.07 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.187 -0.946 . . . . 0.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -58.62 -28.3 65.51 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.601 -0.687 . . . . 0.0 110.467 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -62.49 -27.02 68.84 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.572 -0.705 . . . . 0.0 110.271 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 14.3 ptpt -128.54 16.88 6.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.487 -0.758 . . . . 0.0 111.137 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.43 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 59.5 m-70 -143.42 58.86 6.88 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.292 -0.88 . . . . 0.0 110.075 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.04 -30.33 10.93 Favored 'Trans proline' 0 C--N 1.316 -1.14 0 O-C-N 123.34 1.179 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -82.6 -44.96 15.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.595 -0.691 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 p -79.9 147.72 31.56 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.609 -0.682 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.9 t -92.17 -177.59 4.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.66 -0.65 . . . . 0.0 110.178 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.8 p -167.4 65.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.546 -0.721 . . . . 0.0 110.208 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -58.63 -174.34 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.495 -0.753 . . . . 0.0 109.594 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -72.62 -41.72 65.24 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.399 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.89 -44.13 70.36 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.208 -0.932 . . . . 0.0 110.944 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.95 -16.19 58.46 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.177 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -112.3 -43.39 3.53 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.889 . . . . 0.0 110.927 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.4 p -57.81 -21.39 41.89 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.533 -0.729 . . . . 0.0 110.077 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -87.87 -27.28 22.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.535 -0.728 . . . . 0.0 110.498 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -85.11 -38.23 19.33 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.56 -0.713 . . . . 0.0 110.745 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.9 p -59.72 -32.21 70.33 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.356 -0.84 . . . . 0.0 110.38 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -35.4 80.15 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.615 -0.678 . . . . 0.0 110.36 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.47 -30.12 70.4 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.457 -0.777 . . . . 0.0 109.986 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -94.63 -30.98 14.05 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.646 -0.659 . . . . 0.0 110.022 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -70.28 -47.07 62.85 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.684 -0.635 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -67.34 -27.27 66.99 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.568 -0.708 . . . . 0.0 110.31 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.5 p -85.59 -24.33 27.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.496 -0.752 . . . . 0.0 110.603 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.7 mmm -58.18 154.23 13.48 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.423 -0.798 . . . . 0.0 110.403 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.5 p -97.53 175.8 6.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.559 -0.713 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.12 -26.47 64.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.698 -0.626 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -68.83 -31.35 70.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.437 -0.789 . . . . 0.0 109.748 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -96.12 -42.28 8.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.651 -0.656 . . . . 0.0 109.78 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -61.23 -23.95 66.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.732 -0.605 . . . . 0.0 110.296 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.1 p -62.83 -30.78 71.75 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.47 -0.769 . . . . 0.0 110.207 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -61.98 -30.12 70.72 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.505 -0.747 . . . . 0.0 110.194 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -89.84 -28.9 18.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.621 -0.674 . . . . 0.0 110.188 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.89 -29.96 35.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.57 -0.706 . . . . 0.0 110.147 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -73.97 -28.75 61.64 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.599 -0.688 . . . . 0.0 110.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.2 mtm -83.92 -29.04 27.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.552 -0.717 . . . . 0.0 110.199 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.27 -38.09 43.5 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.61 -0.681 . . . . 0.0 110.145 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -66.15 -29.16 69.4 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.582 -0.699 . . . . 0.0 110.145 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 t -65.02 -53.76 40.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.5 -0.75 . . . . 0.0 110.153 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.88 -28.83 62.73 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.555 -0.715 . . . . 0.0 110.173 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -68.82 -28.63 66.92 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.527 -0.733 . . . . 0.0 110.228 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.74 -27.78 13.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.601 -0.687 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -60.51 -33.38 72.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.536 -0.728 . . . . 0.0 110.272 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.62 -27.64 68.81 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.588 -0.695 . . . . 0.0 110.269 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.51 -28.28 46.25 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.563 -0.71 . . . . 0.0 110.275 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 -111.12 36.9 3.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.583 -0.698 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -131.09 -43.49 1.06 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.505 -0.747 . . . . 0.0 110.182 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 76.2 mmm -87.79 -28.73 21.5 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.634 -0.666 . . . . 0.0 110.24 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -80.82 -49.35 11.2 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.598 -0.689 . . . . 0.0 110.197 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.174 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.006 0.432 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.58 100.32 0.2 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -93.34 -48.69 6.3 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.564 -0.962 . . . . 0.0 110.23 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.59 -135.09 6.97 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -152.14 57.6 2.26 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.597 -0.943 . . . . 0.0 110.179 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.08 -42.74 0.9 Allowed 'Trans proline' 0 C--N 1.316 -1.146 0 O-C-N 123.358 1.189 . . . . 0.0 110.122 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.76 -51.77 0.51 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.907 -0.496 . . . . 0.0 110.195 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -97.53 161.38 26.1 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 0.0 110.324 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.75 -165.39 0.23 Allowed 'Trans proline' 0 C--N 1.317 -1.09 0 O-C-N 123.431 1.227 . . . . 0.0 110.352 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -79.8 149.04 31.18 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.644 -0.66 . . . . 0.0 110.175 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.87 136.87 23.42 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -63.8 172.79 2.04 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.557 -0.967 . . . . 0.0 110.21 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.443 ' CB ' ' CE2' ' A' ' 18' ' ' PHE . 12.1 mtt -158.56 114.82 2.72 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.596 -0.69 . . . . 0.0 110.164 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -69.61 -178.98 1.58 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.583 -0.698 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.2 p -69.94 -29.1 66.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.542 -0.723 . . . . 0.0 110.161 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -75.81 -29.23 58.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.566 -0.708 . . . . 0.0 110.082 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.54 -30.53 52.83 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.601 -0.687 . . . . 0.0 110.03 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.443 ' CE2' ' CB ' ' A' ' 13' ' ' MET . 4.3 m-85 -76.89 -29.37 55.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.661 -0.649 . . . . 0.0 110.016 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.77 -54.5 38.11 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.541 -0.725 . . . . 0.0 110.139 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.2 -31.55 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.598 -0.689 . . . . 0.0 109.791 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -70.45 -47.83 58.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.709 . . . . 0.0 109.903 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.7 m -75.69 -29.62 59.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.521 -0.737 . . . . 0.0 110.006 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -72.44 -26.56 61.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.589 -0.694 . . . . 0.0 110.213 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -67.92 -46.49 71.39 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.573 -0.705 . . . . 0.0 109.576 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.32 -42.15 98.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.708 -0.62 . . . . 0.0 109.508 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.3 -24.15 67.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.72 -0.612 . . . . 0.0 109.919 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.49 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 46.1 t60 -96.1 37.6 1.23 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.502 -0.749 . . . . 0.0 109.964 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.0 tttt -127.33 40.5 3.69 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.25 -0.906 . . . . 0.0 110.535 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -125.86 -45.02 1.76 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.47 -0.769 . . . . 0.0 110.172 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.43 61.05 1.39 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.646 -0.659 . . . . 0.0 110.034 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 27' ' ' HIS . 17.5 m80 -144.99 53.58 2.09 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.355 -0.841 . . . . 0.0 109.828 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.04 -50.67 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 O-C-N 123.326 1.172 . . . . 0.0 110.532 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -91.49 -28.53 17.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.632 -0.668 . . . . 0.0 110.226 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 m -79.66 124.33 28.46 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.61 -0.681 . . . . 0.0 110.238 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.6 m -88.29 -178.6 5.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.609 -0.682 . . . . 0.0 110.043 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 p -167.69 60.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.582 -0.699 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -58.19 -175.13 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.31 -0.869 . . . . 0.0 109.678 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' SER . 98.6 m-85 -64.65 -60.58 2.95 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.419 -0.8 . . . . 0.0 111.071 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.78 -55.2 24.65 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.381 -0.824 . . . . 0.0 112.297 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -52.9 -24.36 9.04 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.218 -0.926 . . . . 0.0 110.3 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -104.01 -14.54 15.9 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.626 -0.671 . . . . 0.0 110.758 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' PHE . 13.5 p -79.04 -26.71 43.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.354 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -86.37 -26.44 24.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.708 -0.62 . . . . 0.0 110.189 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -83.62 -42.71 16.42 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.546 -0.722 . . . . 0.0 110.703 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -58.25 -33.05 68.94 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.39 -0.819 . . . . 0.0 110.505 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.7 p -65.11 -37.05 86.21 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.68 -0.638 . . . . 0.0 110.014 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -62.87 -32.12 73.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.63 -0.668 . . . . 0.0 109.981 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.28 -42.02 12.53 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.607 -0.683 . . . . 0.0 109.996 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -63.43 -32.84 74.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.595 -0.691 . . . . 0.0 110.026 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -77.29 -29.1 53.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.566 -0.709 . . . . 0.0 110.145 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -92.11 -17.63 24.69 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.592 -0.692 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.4 mmm -56.22 164.4 1.31 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.298 -0.876 . . . . 0.0 110.529 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -107.24 175.24 5.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.632 -0.668 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.91 -24.77 65.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.564 -0.71 . . . . 0.0 110.551 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -68.57 -30.57 69.36 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.379 -0.826 . . . . 0.0 109.901 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -96.22 -44.92 7.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.683 -0.635 . . . . 0.0 109.948 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -61.56 -23.24 65.84 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.693 -0.629 . . . . 0.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 p -67.51 -31.57 71.79 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.416 -0.803 . . . . 0.0 110.292 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.69 -29.11 69.61 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.465 -0.772 . . . . 0.0 110.184 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -86.74 -29.38 22.41 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.67 -0.644 . . . . 0.0 110.301 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -67.84 -29.41 68.54 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.615 -0.678 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.81 -28.28 44.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.572 -0.705 . . . . 0.0 110.284 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.5 mtt -70.05 -30.76 68.12 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.513 -0.742 . . . . 0.0 110.243 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.33 22.26 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.667 -0.646 . . . . 0.0 110.153 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -28.48 69.2 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.547 -0.72 . . . . 0.0 110.232 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 t -61.41 -46.72 88.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 0.0 110.186 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.97 -29.88 39.64 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.57 -0.706 . . . . 0.0 110.153 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -62.3 -28.84 70.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.582 -0.698 . . . . 0.0 110.148 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.83 -28.88 20.11 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.586 -0.696 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -78.9 -28.67 44.02 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.61 -0.681 . . . . 0.0 110.212 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -61.51 -29.47 70.01 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.567 -0.708 . . . . 0.0 110.205 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -98.4 47.87 0.99 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.576 -0.703 . . . . 0.0 110.222 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -158.18 -43.73 0.06 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.572 -0.705 . . . . 0.0 110.249 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.64 -23.7 34.14 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.552 -0.717 . . . . 0.0 110.542 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.74 40.49 1.09 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.38 -0.825 . . . . 0.0 110.336 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -122.7 157.75 31.6 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.584 -0.697 . . . . 0.0 110.176 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.5 m120 . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.259 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 mtp . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.053 0.454 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.17 83.51 0.05 OUTLIER Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -100.75 -175.23 2.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.609 -0.936 . . . . 0.0 110.199 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.31 157.29 44.12 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.52 164.13 23.1 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.602 -0.94 . . . . 0.0 110.16 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -73.39 -43.39 0.69 Allowed 'Trans proline' 0 C--N 1.317 -1.11 0 O-C-N 123.394 1.207 . . . . 0.0 110.104 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.85 42.91 2.9 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.267 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -142.86 148.06 44.27 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.503 -0.748 . . . . 0.0 110.136 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.81 160.97 45.0 Favored 'Trans proline' 0 C--N 1.317 -1.082 0 O-C-N 123.393 1.207 . . . . 0.0 110.374 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -103.95 30.45 5.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.657 -0.652 . . . . 0.0 110.262 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.79 -141.31 15.41 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -130.5 -167.15 1.78 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.962 . . . . 0.0 110.151 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -131.95 118.23 19.5 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.605 -0.684 . . . . 0.0 110.179 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t -91.07 179.09 5.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.563 -0.711 . . . . 0.0 110.245 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.1 p -69.06 -27.62 65.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.606 -0.684 . . . . 0.0 110.333 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -60.48 -28.35 68.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 110.229 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -29.42 51.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 110.169 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -82.63 -28.92 30.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.642 -0.661 . . . . 0.0 110.169 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 52.9 t80 -66.35 -56.14 12.56 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.28 -28.85 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.531 -0.731 . . . . 0.0 109.852 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -71.55 -47.69 53.37 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.606 -0.684 . . . . 0.0 110.149 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -65.27 -29.43 70.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.609 -0.682 . . . . 0.0 110.186 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.6 m -84.35 -27.99 27.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.532 -0.73 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.33 -39.05 65.55 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.608 -0.682 . . . . 0.0 110.125 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -61.94 -54.6 39.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.65 -0.656 . . . . 0.0 110.067 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.75 -28.77 68.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.605 -0.684 . . . . 0.0 110.198 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 38.5 t60 -69.5 -35.3 75.4 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.661 -0.649 . . . . 0.0 110.138 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -63.82 -58.67 6.1 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.608 -0.683 . . . . 0.0 110.39 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -58.68 -24.97 62.34 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.484 -0.76 . . . . 0.0 110.514 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HG2' ' NE2' ' A' ' 31' ' ' HIS . 1.4 tttm -91.81 -21.29 20.74 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.575 -0.703 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.427 ' NE2' ' HG2' ' A' ' 30' ' ' LYS . 91.3 m-70 -131.52 85.79 51.52 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 121.284 -0.885 . . . . 0.0 110.043 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.95 -29.4 10.22 Favored 'Trans proline' 0 C--N 1.317 -1.111 0 O-C-N 123.484 1.255 . . . . 0.0 110.789 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -124.0 73.08 1.2 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.483 -0.761 . . . . 0.0 110.492 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -160.32 134.79 7.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.562 -0.711 . . . . 0.0 110.125 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.8 p -81.75 131.95 35.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.58 -0.7 . . . . 0.0 110.022 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 p -144.07 66.8 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.642 -0.661 . . . . 0.0 110.43 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -59.98 -167.67 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.365 -0.834 . . . . 0.0 109.586 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -71.0 -41.08 71.42 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.886 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.18 -44.01 63.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.109 -0.995 . . . . 0.0 110.999 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.89 -16.65 52.33 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.081 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -112.57 -48.11 3.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.372 -0.83 . . . . 0.0 111.257 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.9 p -55.81 -24.08 33.95 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.336 -0.852 . . . . 0.0 110.392 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.75 -28.74 67.07 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.596 -0.69 . . . . 0.0 109.9 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -91.28 -46.39 8.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.534 -0.729 . . . . 0.0 110.3 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 68.9 m -61.17 -28.87 69.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.498 -0.751 . . . . 0.0 110.144 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 p -64.58 -40.53 95.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.55 -0.719 . . . . 0.0 110.004 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.42 -28.82 70.24 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.611 -0.681 . . . . 0.0 110.162 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -88.83 -43.82 10.94 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.526 -0.734 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.412 ' CH2' ' HB2' ' A' ' 57' ' ' LYS . 60.2 t-105 -61.07 -49.69 76.3 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.561 -0.712 . . . . 0.0 110.316 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -63.27 -26.11 68.63 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.609 -0.682 . . . . 0.0 110.523 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.5 p -89.72 -26.06 20.85 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.56 -0.713 . . . . 0.0 110.56 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.3 mmm -59.67 130.29 46.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.476 -0.765 . . . . 0.0 110.345 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.5 m -79.62 157.92 27.19 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.557 -0.714 . . . . 0.0 110.03 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.39 -26.67 8.23 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.489 -0.757 . . . . 0.0 110.908 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -73.34 -27.22 61.39 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.607 -0.683 . . . . 0.0 110.013 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -90.14 -35.54 15.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.51 -0.743 . . . . 0.0 110.221 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 51.3 pttt -95.63 28.68 2.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.521 -0.737 . . . . 0.0 110.543 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.4 p -79.79 -29.48 40.38 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.492 -0.755 . . . . 0.0 110.227 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -73.31 -29.51 62.75 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.524 -0.735 . . . . 0.0 110.115 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -81.59 -31.42 32.56 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.56 -0.713 . . . . 0.0 110.122 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -77.27 -28.63 53.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.621 -0.674 . . . . 0.0 110.239 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -78.7 -28.84 45.19 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.642 -0.661 . . . . 0.0 110.16 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.6 mmt -79.94 -29.67 39.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.637 -0.664 . . . . 0.0 110.158 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.27 -36.52 54.24 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.555 -0.716 . . . . 0.0 110.125 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -66.76 -28.97 68.83 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 t -61.28 -39.63 91.11 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.612 -0.68 . . . . 0.0 110.162 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.53 -28.63 20.65 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.634 -0.666 . . . . 0.0 110.199 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -66.72 -32.43 73.74 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.475 -0.766 . . . . 0.0 110.201 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.69 -28.99 36.55 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.518 -0.739 . . . . 0.0 110.153 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -63.12 -28.67 70.23 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.546 -0.722 . . . . 0.0 110.182 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -61.16 -27.61 68.53 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.605 -0.684 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.28 -36.98 79.09 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.526 -0.734 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.7 mtt-85 -105.82 41.23 1.42 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.537 -0.727 . . . . 0.0 110.103 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -113.69 -59.05 2.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.606 -0.683 . . . . 0.0 110.255 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.9 mmt -107.12 -33.21 7.52 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.639 -0.663 . . . . 0.0 110.202 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -88.05 124.27 33.59 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.541 -0.724 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.179 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.061 0.458 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.82 -157.06 26.2 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.8 tttt 52.88 38.83 27.88 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.428 -1.042 . . . . 0.0 110.816 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.65 -31.16 50.99 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.77 167.09 11.07 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.547 -0.972 . . . . 0.0 110.232 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.5 -43.21 0.7 Allowed 'Trans proline' 0 C--N 1.317 -1.089 0 O-C-N 123.461 1.243 . . . . 0.0 110.105 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.79 44.68 2.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.845 -0.534 . . . . 0.0 110.181 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -161.3 91.08 1.51 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.555 -0.716 . . . . 0.0 110.161 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.61 161.44 44.01 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 123.413 1.218 . . . . 0.0 110.387 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.11 113.95 6.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.565 -0.709 . . . . 0.0 110.241 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.09 45.22 0.45 Allowed Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -106.46 -168.96 1.49 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.482 -1.011 . . . . 0.0 110.174 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.416 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 7.4 mmt -131.04 178.28 6.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.625 -0.672 . . . . 0.0 110.216 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -154.86 44.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.592 -0.693 . . . . 0.0 110.229 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p 67.23 -60.58 0.37 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.682 -0.636 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -60.67 -28.25 68.45 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.173 -0.955 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -29.42 61.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.465 -0.772 . . . . 0.0 110.179 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 13' ' ' MET . 3.8 m-85 -81.19 -28.76 34.82 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.528 -0.733 . . . . 0.0 110.15 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.04 -49.92 68.27 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.605 -0.684 . . . . 0.0 110.157 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.61 -28.53 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.587 -0.695 . . . . 0.0 109.926 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -74.35 -28.57 61.19 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.467 -0.771 . . . . 0.0 110.206 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 m -94.87 -27.82 15.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.621 -0.675 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 m -81.36 -28.28 34.52 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.546 -0.721 . . . . 0.0 110.284 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -73.65 -37.02 65.44 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.533 -0.729 . . . . 0.0 110.199 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.43 -50.67 64.56 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.528 -0.732 . . . . 0.0 110.153 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.76 -24.04 66.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.613 -0.679 . . . . 0.0 110.411 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -73.26 -40.6 64.49 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.473 -0.767 . . . . 0.0 110.41 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -69.55 -20.05 63.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.553 -0.717 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -78.09 -24.5 47.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.313 -0.867 . . . . 0.0 110.855 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 10.4 ptpt -118.17 17.81 13.91 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.335 -0.853 . . . . 0.0 111.241 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 60.7 m-70 -144.16 79.21 13.16 Favored Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 121.285 -0.885 . . . . 0.0 110.247 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.9 -42.51 0.77 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.404 1.213 . . . . 0.0 110.354 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -109.96 66.4 0.63 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.562 -0.711 . . . . 0.0 110.324 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -153.12 127.31 9.12 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.505 -0.747 . . . . 0.0 110.141 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.8 m -82.9 131.23 35.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.526 -0.734 . . . . 0.0 110.204 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 p -141.56 65.25 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.597 -0.69 . . . . 0.0 110.332 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.0 -170.01 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.435 -0.791 . . . . 0.0 109.688 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' SER . 84.3 m-85 -68.38 -43.71 76.75 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 119.454 -0.899 . . . . 0.0 110.755 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.13 -45.5 70.0 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.025 -1.047 . . . . 0.0 111.241 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.55 -16.6 49.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.389 -0.819 . . . . 0.0 110.284 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -112.41 -44.34 3.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 0.0 111.003 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 38' ' ' PHE . 88.6 p -56.63 -22.38 33.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.519 -0.738 . . . . 0.0 110.202 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -82.65 -25.02 33.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.522 -0.736 . . . . 0.0 110.505 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -84.66 -43.26 14.54 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.465 -0.772 . . . . 0.0 110.964 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -58.44 -29.15 65.93 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.359 -0.838 . . . . 0.0 110.431 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.3 p -67.1 -33.39 75.36 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.627 -0.671 . . . . 0.0 110.133 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.53 -33.88 71.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.51 -0.744 . . . . 0.0 110.077 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -28.2 19.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.647 -0.658 . . . . 0.0 110.095 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -74.78 -33.53 62.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.526 -0.734 . . . . 0.0 110.309 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -83.04 -27.91 29.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.461 -0.775 . . . . 0.0 110.414 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.6 p -81.48 -26.19 35.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.556 -0.715 . . . . 0.0 110.36 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 36.2 mtp -59.38 164.88 3.05 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.399 -0.813 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.4 t -100.86 175.83 5.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.586 -0.696 . . . . 0.0 110.278 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.73 -24.51 63.56 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.607 -0.683 . . . . 0.0 110.481 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.98 -31.44 71.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.479 -0.763 . . . . 0.0 109.832 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.93 -41.37 9.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.712 -0.618 . . . . 0.0 109.869 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -66.46 -21.23 66.19 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.725 -0.61 . . . . 0.0 110.434 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 p -73.18 -29.61 62.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.346 -0.846 . . . . 0.0 110.255 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -61.67 -29.19 69.92 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.587 -0.696 . . . . 0.0 110.093 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -83.25 -29.23 28.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.635 -0.665 . . . . 0.0 110.185 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.04 -28.95 57.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.57 -0.706 . . . . 0.0 110.216 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.05 -28.6 57.72 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.601 -0.687 . . . . 0.0 110.233 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.9 mmt -78.83 -29.47 44.72 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.499 -0.751 . . . . 0.0 110.182 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.28 52.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.567 -0.708 . . . . 0.0 110.169 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -67.18 -29.53 69.24 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.596 -0.69 . . . . 0.0 110.148 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 t -62.1 -38.56 89.35 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.59 -0.694 . . . . 0.0 110.081 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -85.48 -30.13 23.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.539 -0.726 . . . . 0.0 110.118 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -70.8 -33.2 70.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.576 -0.702 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.27 -28.12 56.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.608 -0.682 . . . . 0.0 110.258 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 -95.34 23.57 5.77 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.475 -0.765 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -114.45 -26.11 8.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.398 -0.814 . . . . 0.0 110.531 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.25 -29.68 70.58 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.448 -0.782 . . . . 0.0 110.169 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.75 -33.53 68.75 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.565 -0.71 . . . . 0.0 110.173 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.63 -29.46 64.68 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.561 -0.712 . . . . 0.0 110.247 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 25.4 mtt -71.67 -29.21 64.35 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.554 -0.716 . . . . 0.0 110.227 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -66.13 153.56 42.03 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.623 -0.673 . . . . 0.0 110.098 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.223 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ttm . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.086 0.47 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.17 114.55 0.62 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -144.06 89.58 2.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.552 -0.969 . . . . 0.0 110.163 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.05 -33.69 4.85 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.38 172.79 0.04 OUTLIER Pre-proline 0 N--CA 1.502 2.132 0 O-C-N 121.486 -1.008 . . . . 0.0 110.679 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -74.44 -42.39 0.66 Allowed 'Trans proline' 0 C--N 1.318 -1.071 0 O-C-N 123.339 1.179 . . . . 0.0 110.346 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.9 -156.86 0.78 Allowed 'General case' 0 C--N 1.307 -1.257 0 O-C-N 121.789 -0.569 . . . . 0.0 109.749 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 mttp 57.51 166.21 0.07 OUTLIER Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.602 -0.687 . . . . 0.0 110.679 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.26 -165.89 0.29 Allowed 'Trans proline' 0 C--N 1.317 -1.083 0 O-C-N 123.313 1.165 . . . . 0.0 110.63 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -98.8 165.7 11.66 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.642 -0.661 . . . . 0.0 110.192 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -169.52 26.07 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -108.62 -167.16 1.19 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.602 -0.94 . . . . 0.0 110.105 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 39.9 mtt -139.45 -168.21 2.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.635 -0.666 . . . . 0.0 110.108 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -146.66 178.35 8.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.576 -0.702 . . . . 0.0 110.121 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.2 p -77.39 -28.49 52.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.538 -0.726 . . . . 0.0 110.212 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -75.86 -29.17 58.44 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.523 -0.736 . . . . 0.0 110.201 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.39 -38.76 63.03 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.566 -0.709 . . . . 0.0 110.102 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.17 -29.04 65.83 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.627 -0.67 . . . . 0.0 110.039 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -61.73 -58.46 7.93 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.0 110.058 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.44 -36.69 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.571 -0.706 . . . . 0.0 109.706 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -63.64 -44.72 93.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.52 -0.738 . . . . 0.0 109.961 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.3 m -78.08 -29.46 49.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.585 -0.697 . . . . 0.0 110.029 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.1 m -74.76 -27.48 60.36 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.505 -0.747 . . . . 0.0 110.155 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.32 -43.55 66.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.499 -0.751 . . . . 0.0 109.674 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -62.72 -43.29 99.18 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.692 -0.63 . . . . 0.0 109.74 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -25.38 67.43 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.735 -0.603 . . . . 0.0 110.055 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 56.2 t60 -95.4 37.39 1.19 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.497 -0.752 . . . . 0.0 109.901 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 41.41 3.48 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.233 -0.917 . . . . 0.0 110.503 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -127.05 -42.55 1.72 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.486 -0.759 . . . . 0.0 110.066 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.24 61.08 1.6 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.67 -0.644 . . . . 0.0 109.956 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 17.8 m80 -144.79 53.72 2.23 Favored Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.388 -0.82 . . . . 0.0 109.799 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.4 Cg_endo -72.86 -50.54 0.21 Allowed 'Trans proline' 0 C--N 1.316 -1.138 0 O-C-N 123.354 1.186 . . . . 0.0 110.504 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -84.81 -28.06 26.38 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.526 -0.734 . . . . 0.0 110.377 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -87.56 129.51 35.07 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 0.0 110.191 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.5 p -91.86 -173.21 3.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.548 -0.72 . . . . 0.0 109.931 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.2 p -167.31 65.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.51 -0.744 . . . . 0.0 110.503 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -60.61 179.84 0.15 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.363 -0.836 . . . . 0.0 109.701 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -68.74 -45.08 72.4 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.328 -0.858 . . . . 0.0 110.19 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.25 -41.95 69.46 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.276 -0.89 . . . . 0.0 110.494 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -63.4 -16.09 59.5 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.964 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -112.39 -45.84 3.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.0 p -55.95 -23.62 33.15 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.637 -0.664 . . . . 0.0 110.117 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -79.47 -30.16 41.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.512 -0.743 . . . . 0.0 109.676 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -85.31 -43.42 13.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.665 -0.647 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.1 m -60.91 -29.41 69.58 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.48 -0.762 . . . . 0.0 109.986 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.7 p -67.72 -34.65 77.28 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.534 -0.729 . . . . 0.0 109.796 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.07 -29.34 70.48 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.695 -0.628 . . . . 0.0 109.972 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.2 ttt-85 -91.96 -35.53 13.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.632 -0.667 . . . . 0.0 110.052 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.411 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 72.2 t-105 -66.9 -48.82 67.54 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.628 -0.67 . . . . 0.0 110.046 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -66.39 -26.97 67.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.541 -0.725 . . . . 0.0 110.478 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.1 p -89.24 -27.14 20.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.471 -0.768 . . . . 0.0 110.386 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 mtp -59.76 153.8 19.64 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.486 -0.759 . . . . 0.0 110.245 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.5 t -100.97 -178.34 3.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.523 -0.736 . . . . 0.0 110.347 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.16 -21.28 65.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.649 -0.657 . . . . 0.0 110.714 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -68.98 -29.47 67.68 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.356 -0.84 . . . . 0.0 109.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -102.66 -39.37 7.08 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.646 -0.659 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 35.2 mtmt -70.03 -18.9 63.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.704 -0.623 . . . . 0.0 110.568 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 p -60.02 -30.16 68.97 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.388 -0.82 . . . . 0.0 110.391 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -66.87 -28.92 68.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.627 -0.67 . . . . 0.0 110.255 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.17 -28.66 21.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.602 -0.686 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.5 -28.64 63.01 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.517 -0.739 . . . . 0.0 110.178 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.66 -28.36 36.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.589 -0.694 . . . . 0.0 110.19 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 61.3 mtp -76.56 -31.41 57.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.6 -0.688 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.04 -39.25 61.1 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.563 -0.711 . . . . 0.0 110.123 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -65.08 -29.59 70.48 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.643 -0.661 . . . . 0.0 110.118 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -61.8 -39.27 91.14 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.574 -0.704 . . . . 0.0 110.091 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -83.25 -29.32 28.53 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.616 -0.678 . . . . 0.0 110.15 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.62 -29.1 67.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.638 -0.664 . . . . 0.0 110.061 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.16 -25.08 39.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.6 -0.687 . . . . 0.0 110.392 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -58.59 -27.85 65.02 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.484 -0.76 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -63.9 -29.4 70.58 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.538 -0.726 . . . . 0.0 110.109 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.97 45.38 1.14 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.599 -0.688 . . . . 0.0 110.216 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.8 mtt85 -141.89 -55.38 0.46 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.539 -0.725 . . . . 0.0 110.182 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -71.61 -32.64 68.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.547 -0.721 . . . . 0.0 110.271 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.6 mmt -90.65 -59.11 2.26 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.567 -0.708 . . . . 0.0 110.193 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -109.74 123.02 48.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.56 -0.712 . . . . 0.0 110.234 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.195 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 mmt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.085 0.469 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.2 -140.83 3.01 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.5 tttt 52.86 86.53 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.458 -1.025 . . . . 0.0 110.75 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.21 146.24 31.67 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.412 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -73.51 -57.09 2.78 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.623 -0.928 . . . . 0.0 110.41 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.2 Cg_endo -73.99 -42.91 0.65 Allowed 'Trans proline' 0 N--CA 1.486 1.082 0 O-C-N 123.203 1.107 . . . . 0.0 110.102 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.55 -158.88 0.89 Allowed 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -141.89 62.27 14.15 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.658 -0.651 . . . . 0.0 110.244 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.82 121.04 6.71 Favored 'Trans proline' 0 C--N 1.317 -1.087 0 O-C-N 123.311 1.164 . . . . 0.0 110.344 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -99.9 30.41 3.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.564 -0.71 . . . . 0.0 110.172 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.92 -167.79 54.85 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -123.78 152.48 42.15 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.48 -1.012 . . . . 0.0 110.201 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.417 ' HB2' ' CD2' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -106.4 20.95 18.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.54 -0.725 . . . . 0.0 110.751 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 t 44.66 -156.15 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.44 -0.788 . . . . 0.0 111.733 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p -100.57 -21.54 15.26 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.619 -0.676 . . . . 0.0 110.005 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -94.07 -34.14 13.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.44 -0.787 . . . . 0.0 110.402 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.81 -29.71 61.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.412 -0.805 . . . . 0.0 109.804 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' A' ' 13' ' ' MET . 0.1 OUTLIER -71.47 -28.83 64.21 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.586 -0.696 . . . . 0.0 109.667 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -61.17 -49.34 77.59 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.604 -0.685 . . . . 0.0 110.257 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.5 t -61.98 -28.48 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.533 -0.729 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -78.22 -29.42 48.31 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.492 -0.755 . . . . 0.0 110.206 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 m -88.27 -28.63 20.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.613 -0.679 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -83.31 -27.95 29.42 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.543 -0.723 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -71.93 -39.97 69.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.541 -0.724 . . . . 0.0 110.187 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.11 -55.66 29.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.588 -0.695 . . . . 0.0 110.164 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.16 -25.61 67.85 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.574 -0.704 . . . . 0.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 51.7 t60 -70.91 -38.97 72.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.534 -0.729 . . . . 0.0 110.354 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -70.18 -13.85 62.37 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.661 -0.649 . . . . 0.0 111.157 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -87.98 -23.42 23.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.252 -0.905 . . . . 0.0 110.956 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 25.0 pttt -118.01 18.03 14.0 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.417 -0.802 . . . . 0.0 111.293 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.43 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 59.0 m-70 -144.53 79.99 12.12 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.354 -0.841 . . . . 0.0 110.275 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.26 -47.92 0.23 Allowed 'Trans proline' 0 C--N 1.317 -1.115 0 O-C-N 123.392 1.207 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.89 62.1 0.99 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.63 -0.669 . . . . 0.0 110.237 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -158.42 125.96 5.07 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.567 -0.708 . . . . 0.0 110.286 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -81.9 162.24 22.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.659 -0.651 . . . . 0.0 110.176 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 p -166.61 65.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.605 -0.684 . . . . 0.0 110.365 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -59.59 -169.73 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.331 -0.855 . . . . 0.0 109.499 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -69.04 -41.9 77.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 0.0 110.815 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.08 -46.14 65.54 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.102 -0.999 . . . . 0.0 111.422 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -60.73 -17.15 46.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.311 -0.868 . . . . 0.0 110.341 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -111.61 -42.15 3.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.339 -0.85 . . . . 0.0 111.093 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.9 p -60.37 -18.52 50.8 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.478 -0.764 . . . . 0.0 110.289 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -89.21 -26.81 21.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.381 -0.824 . . . . 0.0 110.34 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -36.53 20.38 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.547 -0.721 . . . . 0.0 110.765 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -58.7 -27.51 64.93 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.36 -0.837 . . . . 0.0 110.414 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.2 p -67.5 -28.43 67.83 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.628 -0.67 . . . . 0.0 110.11 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.39 -28.11 61.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.565 -0.709 . . . . 0.0 110.188 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -94.52 -37.15 11.52 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.566 -0.709 . . . . 0.0 110.288 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -64.22 -47.37 79.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.614 -0.679 . . . . 0.0 110.252 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -64.55 -27.64 69.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.558 -0.714 . . . . 0.0 110.348 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.4 p -85.97 -27.87 24.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.504 -0.747 . . . . 0.0 110.312 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.9 mmm -60.79 137.7 58.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.507 -0.746 . . . . 0.0 110.284 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.9 m -88.61 163.56 15.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.59 -0.694 . . . . 0.0 110.146 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.55 -31.27 45.8 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.42 -0.8 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -74.38 -27.5 60.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.616 -0.677 . . . . 0.0 109.993 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.64 -36.09 16.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.566 -0.709 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.9 24.07 5.06 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.574 -0.703 . . . . 0.0 110.518 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.0 p -76.9 -29.49 55.76 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.493 -0.754 . . . . 0.0 109.971 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -67.92 -34.57 76.88 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.663 -0.648 . . . . 0.0 109.91 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -73.04 -42.69 62.88 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.697 -0.627 . . . . 0.0 109.893 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -69.84 -29.56 66.84 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.615 -0.678 . . . . 0.0 109.981 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.17 -29.41 38.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.594 -0.691 . . . . 0.0 110.092 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 33.7 mtp -76.5 -29.72 56.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.612 -0.68 . . . . 0.0 110.053 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.65 53.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.695 -0.628 . . . . 0.0 110.042 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -67.14 -31.05 71.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.531 -0.731 . . . . 0.0 110.028 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -63.74 -45.99 87.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.54 -0.725 . . . . 0.0 110.031 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.63 -28.94 33.42 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.656 -0.652 . . . . 0.0 110.15 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -30.92 66.68 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.55 -0.719 . . . . 0.0 110.178 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.61 -29.22 20.14 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.525 -0.734 . . . . 0.0 110.094 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -76.07 -26.29 56.37 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.574 -0.704 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -59.23 -28.47 66.71 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.491 -0.756 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.2 -32.11 73.62 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.534 -0.729 . . . . 0.0 110.141 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -114.4 34.74 4.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.602 -0.686 . . . . 0.0 110.157 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -113.89 -33.27 5.82 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.601 -0.687 . . . . 0.0 110.194 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.3 mtt -100.01 -32.43 10.96 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.566 -0.709 . . . . 0.0 110.229 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -151.71 148.52 28.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.533 -0.729 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.177 -179.984 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 ttt . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.148 0.499 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.36 159.51 9.46 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -154.83 164.07 39.36 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.524 -0.986 . . . . 0.0 110.226 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.52 106.24 2.01 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.45 170.59 7.78 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.558 -0.966 . . . . 0.0 110.263 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.97 -42.86 0.89 Allowed 'Trans proline' 0 C--N 1.316 -1.172 0 O-C-N 123.469 1.247 . . . . 0.0 110.008 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.38 77.84 1.73 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.106 0.479 . . . . 0.0 110.213 -178.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -166.66 143.09 3.91 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.552 -0.718 . . . . 0.0 110.133 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.28 142.82 34.31 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 O-C-N 123.352 1.185 . . . . 0.0 110.458 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.45 30.36 6.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.527 -0.733 . . . . 0.0 110.154 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.47 155.58 11.72 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -77.43 -38.05 50.37 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.516 -0.991 . . . . 0.0 110.197 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt 53.02 97.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.44 -0.787 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.3 t -61.67 -170.81 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.563 -0.71 . . . . 0.0 110.101 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.8 p -81.42 -29.26 33.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.605 -0.684 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.01 -28.27 69.39 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.642 -0.661 . . . . 0.0 110.165 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.93 -28.91 55.43 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.568 -0.707 . . . . 0.0 110.169 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -79.88 -28.62 39.92 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.577 -0.702 . . . . 0.0 110.231 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -66.09 -47.66 73.51 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.563 -0.711 . . . . 0.0 110.178 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -69.98 -28.44 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.547 -0.721 . . . . 0.0 109.954 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -45.48 27.04 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.52 -0.738 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.7 m -74.37 -27.97 60.9 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.537 -0.727 . . . . 0.0 110.233 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 m -80.24 -26.01 39.28 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.549 -0.72 . . . . 0.0 110.416 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -39.76 63.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.489 -0.757 . . . . 0.0 110.061 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.82 -53.04 61.39 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.72 -0.613 . . . . 0.0 110.015 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.82 -31.54 71.78 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.597 -0.69 . . . . 0.0 109.878 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -64.5 -32.89 74.71 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.675 -0.641 . . . . 0.0 110.101 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -62.75 -61.01 2.71 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.606 -0.684 . . . . 0.0 110.553 -179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -61.45 -22.17 64.8 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.568 -0.708 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 5.0 tttt -92.63 -22.08 19.67 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.455 -0.778 . . . . 0.0 109.711 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 90.0 m-70 -132.15 84.33 53.1 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.226 -0.921 . . . . 0.0 110.145 179.635 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.18 -43.3 0.75 Allowed 'Trans proline' 0 C--N 1.317 -1.094 0 O-C-N 123.471 1.248 . . . . 0.0 110.457 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -100.37 62.06 1.07 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.546 -0.721 . . . . 0.0 110.18 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.74 139.32 5.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.522 -0.736 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.2 p -88.55 175.01 7.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.617 -0.677 . . . . 0.0 110.129 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 p -167.63 68.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.539 -0.725 . . . . 0.0 110.226 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -58.94 -173.25 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.51 -0.744 . . . . 0.0 109.74 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -76.72 -41.27 45.81 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.79 -44.1 67.32 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.228 -0.92 . . . . 0.0 110.931 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.56 -16.7 57.52 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.619 -0.833 . . . . 0.0 110.13 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -111.83 -43.22 3.64 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.325 -0.859 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p -57.14 -21.98 36.68 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.465 -0.772 . . . . 0.0 110.076 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -86.89 -27.2 23.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.528 -0.733 . . . . 0.0 110.331 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -84.79 -39.26 18.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.512 -0.742 . . . . 0.0 110.798 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.2 p -58.53 -31.1 67.61 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.437 -0.79 . . . . 0.0 110.417 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.8 p -66.65 -31.76 72.65 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.668 -0.645 . . . . 0.0 110.033 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -65.85 -29.5 69.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.65 -0.656 . . . . 0.0 109.936 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 -100.73 -32.95 10.47 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.623 -0.673 . . . . 0.0 110.13 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -64.42 -33.15 75.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.499 -0.75 . . . . 0.0 110.063 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -78.25 -28.21 47.7 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.581 -0.699 . . . . 0.0 110.235 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.8 p -82.49 -29.8 30.29 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.544 -0.722 . . . . 0.0 110.209 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 72.6 mtp -61.72 159.46 13.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.551 -0.718 . . . . 0.0 110.157 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.8 p -117.74 -164.77 1.03 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.535 -0.728 . . . . 0.0 110.279 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.34 -20.47 63.86 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.624 -0.673 . . . . 0.0 110.631 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -69.89 -30.0 67.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.268 -0.895 . . . . 0.0 109.926 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -100.91 -39.74 7.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.609 -0.682 . . . . 0.0 110.011 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -67.81 -19.26 65.06 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.669 -0.645 . . . . 0.0 110.577 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 p -58.45 -32.06 68.37 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.303 -0.873 . . . . 0.0 110.477 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -72.62 -31.88 65.5 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.598 -0.689 . . . . 0.0 110.132 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -90.82 -28.75 17.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.569 -0.707 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -74.03 -29.09 61.75 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.543 -0.723 . . . . 0.0 110.116 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.24 -29.08 57.39 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.68 -0.637 . . . . 0.0 110.163 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.5 mmm -69.31 -35.03 75.55 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.605 -0.685 . . . . 0.0 110.076 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.74 -35.99 51.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.686 . . . . 0.0 110.061 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -67.79 -28.63 67.76 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -61.01 -47.05 88.25 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.577 -0.702 . . . . 0.0 110.056 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.95 -30.73 50.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.619 -0.676 . . . . 0.0 110.077 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -63.72 -29.32 70.56 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.542 -0.724 . . . . 0.0 110.157 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.53 -28.67 24.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.601 -0.687 . . . . 0.0 110.193 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -95.71 24.32 5.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.507 -0.746 . . . . 0.0 110.454 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -110.05 -29.32 8.28 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.446 -0.784 . . . . 0.0 110.206 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.88 -30.45 31.95 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.577 -0.702 . . . . 0.0 110.122 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -84.68 -35.55 22.5 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.589 -0.694 . . . . 0.0 110.17 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.46 -30.33 70.02 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.671 -0.643 . . . . 0.0 110.273 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 mmt -79.7 -28.64 40.63 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.585 -0.697 . . . . 0.0 110.259 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -79.97 127.02 31.77 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.596 -0.69 . . . . 0.0 110.187 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.195 -179.958 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.09 0.472 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.12 -122.74 3.6 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -110.04 -43.57 3.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.591 -0.946 . . . . 0.0 110.174 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.4 -127.85 1.33 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.432 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -173.33 -60.45 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.557 -0.966 . . . . 0.0 110.291 179.792 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.7 Cg_endo -74.02 -42.97 0.63 Allowed 'Trans proline' 0 N--CA 1.487 1.118 0 O-C-N 123.11 1.058 . . . . 0.0 109.704 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.57 -25.98 7.67 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.053 0.454 . . . . 0.0 110.411 -179.022 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt 53.2 65.14 6.12 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.238 -0.914 . . . . 0.0 110.729 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.82 -179.93 4.69 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 O-C-N 123.318 1.167 . . . . 0.0 110.246 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -103.15 -179.27 3.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.581 -0.699 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.0 -170.28 6.5 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HE3' ' CG ' ' A' ' 71' ' ' TYR . 18.0 mttp -106.71 -165.05 1.04 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.64 -0.918 . . . . 0.0 110.14 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.6 mtt -139.59 114.97 9.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.509 -0.744 . . . . 0.0 110.204 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 t -84.63 177.46 8.05 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.564 -0.71 . . . . 0.0 110.169 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.2 p -69.29 -28.94 66.73 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.604 -0.685 . . . . 0.0 110.187 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -66.32 -29.05 69.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.469 -0.77 . . . . 0.0 110.142 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.08 -29.86 39.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.585 -0.697 . . . . 0.0 110.126 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -79.6 -29.0 41.0 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.619 -0.676 . . . . 0.0 110.097 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.11 -52.15 63.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.58 -0.7 . . . . 0.0 110.065 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.94 -29.42 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.599 -0.688 . . . . 0.0 109.862 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -69.75 -34.22 73.51 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.622 -0.674 . . . . 0.0 110.056 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -84.64 -29.61 25.58 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.637 -0.664 . . . . 0.0 110.09 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 m -79.61 -29.52 41.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.704 -0.622 . . . . 0.0 110.133 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -35.44 73.68 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.614 -0.679 . . . . 0.0 109.986 179.824 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -67.14 -33.62 75.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.633 -0.667 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -95.14 22.51 6.62 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.496 -0.753 . . . . 0.0 110.535 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -105.01 -48.75 3.65 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.404 -0.81 . . . . 0.0 110.066 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -59.24 -27.44 65.78 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.622 -0.673 . . . . 0.0 110.413 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -60.01 -27.25 66.73 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.539 -0.725 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 11.8 ptpt -132.4 19.59 4.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.474 -0.766 . . . . 0.0 110.969 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 69.6 m-70 -144.13 62.32 10.16 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.374 -0.829 . . . . 0.0 110.025 179.443 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.54 -40.78 1.95 Allowed 'Trans proline' 0 C--N 1.318 -1.065 0 O-C-N 123.328 1.173 . . . . 0.0 110.485 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -99.62 39.01 1.35 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.612 -0.68 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 t -114.24 140.27 48.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.592 -0.693 . . . . 0.0 110.166 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 t -98.55 88.4 4.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.535 -0.728 . . . . 0.0 110.243 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.74 92.34 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.561 -0.712 . . . . 0.0 110.244 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 39' ' ' ALA . 18.3 p30 -93.68 48.12 1.27 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.616 -0.677 . . . . 0.0 109.282 178.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 59.48 -77.28 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 O-C-N 122.194 -0.316 . . . . 0.0 111.219 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -45.42 -45.23 12.69 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.452 -0.78 . . . . 0.0 112.532 -178.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -58.25 -21.34 47.96 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.246 -0.909 . . . . 0.0 109.938 179.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -109.8 -33.75 6.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.583 -0.698 . . . . 0.0 109.985 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 p -61.1 -22.16 64.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.717 -0.614 . . . . 0.0 109.874 179.391 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -84.63 -24.75 28.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.501 -0.749 . . . . 0.0 110.375 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -84.79 -41.92 15.66 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.527 -0.733 . . . . 0.0 110.802 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.3 p -58.94 -28.03 65.88 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.395 -0.816 . . . . 0.0 110.467 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -71.55 -31.41 66.98 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.545 -0.722 . . . . 0.0 110.088 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -70.63 -34.81 72.49 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.549 -0.719 . . . . 0.0 109.95 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.64 -37.53 16.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.658 -0.651 . . . . 0.0 110.068 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -62.85 -49.31 75.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.618 -0.676 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -65.27 -26.15 67.96 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.595 -0.691 . . . . 0.0 110.549 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.7 p -90.04 -22.18 21.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.504 -0.748 . . . . 0.0 110.713 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.3 mmm -57.85 143.57 41.96 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.314 -0.866 . . . . 0.0 110.399 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.3 m -83.99 162.2 20.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.469 -0.769 . . . . 0.0 110.206 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.58 -29.8 64.75 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.496 -0.753 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -75.93 -29.05 58.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.532 -0.73 . . . . 0.0 109.982 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -86.51 -34.59 19.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.563 -0.71 . . . . 0.0 110.142 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 26.98 3.77 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.514 -0.741 . . . . 0.0 110.46 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 p -85.48 -30.97 23.05 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.546 -0.721 . . . . 0.0 110.161 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -69.1 -30.03 68.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.55 -0.719 . . . . 0.0 110.091 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -84.4 -34.61 23.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.517 -0.739 . . . . 0.0 110.124 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.02 -29.4 64.15 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.578 -0.701 . . . . 0.0 110.142 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -80.32 -28.66 38.15 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.55 -0.719 . . . . 0.0 110.241 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.5 mmm -74.08 -29.83 62.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.519 -0.738 . . . . 0.0 110.082 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.68 -29.06 27.9 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.525 -0.734 . . . . 0.0 110.137 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -28.61 64.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.548 -0.72 . . . . 0.0 110.205 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.1 t -73.19 -29.82 63.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.584 -0.697 . . . . 0.0 110.163 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -84.72 -31.21 24.18 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.628 -0.67 . . . . 0.0 110.155 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -29.23 70.62 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.615 -0.678 . . . . 0.0 110.224 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.95 -28.5 49.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.652 -0.655 . . . . 0.0 110.229 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -61.98 -29.01 69.96 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.519 -0.738 . . . . 0.0 110.139 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.418 ' CG ' ' HE3' ' A' ' 12' ' ' LYS . 30.9 t80 -88.49 -28.47 20.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.649 -0.657 . . . . 0.0 110.312 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -77.16 -29.28 54.43 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.568 -0.707 . . . . 0.0 110.145 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -83.21 -30.7 27.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.598 -0.689 . . . . 0.0 110.135 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -68.05 -49.04 63.8 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.571 -0.705 . . . . 0.0 110.224 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.6 mmt -94.42 -42.14 9.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.656 -0.653 . . . . 0.0 110.24 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.7 mttt 52.98 -175.02 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.443 -0.786 . . . . 0.0 110.735 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.176 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.083 0.468 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.61 143.04 8.37 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -98.6 35.53 1.81 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.576 -0.955 . . . . 0.0 110.207 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.99 -51.2 0.9 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.636 -1.385 . . . . 0.0 109.636 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -111.84 165.12 13.53 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.583 -0.951 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.45 -43.35 0.69 Allowed 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.419 1.22 . . . . 0.0 110.173 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.35 41.45 3.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.895 -0.503 . . . . 0.0 110.163 -178.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -156.33 163.93 23.22 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.59 -0.694 . . . . 0.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.57 -177.04 2.54 Favored 'Trans proline' 0 C--N 1.317 -1.087 0 O-C-N 123.419 1.221 . . . . 0.0 110.554 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -93.53 167.29 11.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.598 -0.688 . . . . 0.0 110.251 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.45 -151.98 1.09 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -112.78 -168.49 1.33 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.662 -0.904 . . . . 0.0 110.177 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -126.26 -169.31 1.99 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.61 -0.681 . . . . 0.0 110.164 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.7 t -154.82 167.3 30.72 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.602 -0.686 . . . . 0.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.4 p -72.55 -28.33 62.76 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.631 -0.668 . . . . 0.0 110.207 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -75.74 -29.13 58.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.578 -0.701 . . . . 0.0 110.166 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.62 59.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.587 -0.695 . . . . 0.0 110.163 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -78.12 -29.19 48.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.549 -0.719 . . . . 0.0 110.09 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -61.87 -47.73 83.7 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.543 -0.723 . . . . 0.0 110.059 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.9 t -72.84 -30.02 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.597 -0.689 . . . . 0.0 109.85 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -71.77 -29.0 64.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.531 -0.73 . . . . 0.0 110.197 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.8 m -94.55 -28.47 15.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.64 -0.662 . . . . 0.0 110.167 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.2 m -83.43 -35.19 25.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.501 -0.749 . . . . 0.0 110.2 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -70.99 -35.38 72.08 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.548 -0.72 . . . . 0.0 109.987 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.78 -37.75 79.92 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.476 -0.765 . . . . 0.0 109.812 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -94.62 19.77 9.43 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.636 -0.665 . . . . 0.0 110.206 179.26 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -105.1 -52.82 2.77 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.43 -0.794 . . . . 0.0 110.078 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -60.62 -32.49 71.63 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.533 -0.729 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -61.58 -25.42 67.32 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.596 -0.69 . . . . 0.0 110.426 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 2.3 ptmt -124.79 15.49 8.67 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.468 -0.77 . . . . 0.0 111.16 -179.729 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 50.5 m-70 -143.04 67.56 17.38 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.183 -0.948 . . . . 0.0 110.168 179.35 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.99 -35.98 4.83 Favored 'Trans proline' 0 C--N 1.318 -1.027 0 O-C-N 123.241 1.127 . . . . 0.0 110.406 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.99 -33.37 33.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.642 -0.662 . . . . 0.0 110.16 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -89.01 138.55 31.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.547 -0.72 . . . . 0.0 110.104 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 m -99.55 -169.55 1.77 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.605 -0.684 . . . . 0.0 110.324 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' A' ' 41' ' ' PHE . 10.7 p -163.65 71.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.633 -0.667 . . . . 0.0 109.927 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' ALA . 7.1 p-10 -76.4 60.63 1.59 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.494 -0.754 . . . . 0.0 110.888 -179.501 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 59.55 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.779 -0.575 . . . . 0.0 111.6 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -46.66 -49.16 19.65 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.177 -0.952 . . . . 0.0 112.245 -178.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -55.21 -23.41 22.01 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.28 -0.888 . . . . 0.0 109.6 178.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.407 ' HB2' ' CG2' ' A' ' 36' ' ' VAL . 2.8 t80 -101.59 -34.48 9.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.534 0.683 . . . . 0.0 109.83 179.247 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 p -57.79 -21.93 44.55 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.889 -0.507 . . . . 0.0 110.25 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -90.95 -24.82 20.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.641 -0.662 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -89.99 -46.91 8.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.436 -0.79 . . . . 0.0 110.989 -179.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -57.92 -27.63 63.53 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.379 -0.825 . . . . 0.0 110.597 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.0 p -70.19 -35.27 73.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.532 -0.73 . . . . 0.0 110.091 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.57 -33.36 75.42 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.537 -0.727 . . . . 0.0 110.101 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -86.49 -44.03 12.3 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.672 -0.642 . . . . 0.0 110.236 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -60.81 -34.62 74.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.555 -0.716 . . . . 0.0 110.13 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -78.21 -24.61 47.0 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.582 -0.699 . . . . 0.0 110.586 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.9 p -100.57 -13.61 18.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.409 -0.807 . . . . 0.0 111.165 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.79 153.59 13.52 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.261 -0.899 . . . . 0.0 110.462 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 p -92.58 176.65 6.38 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.552 -0.717 . . . . 0.0 110.276 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.51 -26.16 66.2 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.62 -0.675 . . . . 0.0 110.348 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -69.54 -29.67 67.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.45 -0.781 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -94.15 -52.0 4.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.602 -0.686 . . . . 0.0 110.081 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -56.06 -24.27 38.74 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.461 -0.774 . . . . 0.0 110.585 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.1 p -66.04 -28.04 68.55 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.501 -0.749 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -69.44 -28.58 66.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.628 -0.67 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -90.92 -28.12 18.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.579 -0.701 . . . . 0.0 110.311 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -69.75 -27.74 65.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.503 -0.748 . . . . 0.0 110.284 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -81.42 -30.43 33.54 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.531 -0.73 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.76 -31.16 66.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.502 -0.749 . . . . 0.0 110.104 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.13 -42.39 32.0 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.541 -0.724 . . . . 0.0 110.204 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -64.29 -28.82 69.98 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.584 -0.697 . . . . 0.0 110.227 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 t -65.39 -38.56 90.36 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.483 -0.76 . . . . 0.0 110.178 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -89.62 -28.5 19.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.532 -0.73 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -70.83 -28.57 64.71 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.567 -0.708 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.55 -23.96 29.49 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.516 -0.74 . . . . 0.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -58.26 -35.23 71.44 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.367 -0.833 . . . . 0.0 110.523 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -68.01 -26.58 65.96 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.548 -0.72 . . . . 0.0 110.367 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.39 -22.93 62.12 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.446 -0.784 . . . . 0.0 110.703 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -118.66 -16.66 9.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.447 -0.783 . . . . 0.0 111.279 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -58.08 -58.37 8.74 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.237 -0.915 . . . . 0.0 110.953 -179.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 44.1 mmm -128.45 57.38 1.59 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.447 -0.783 . . . . 0.0 110.432 -179.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -145.8 99.12 3.22 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.532 -0.73 . . . . 0.0 110.223 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.173 179.986 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.052 0.453 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.97 -106.6 0.23 Allowed Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -150.72 158.71 44.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.57 -0.959 . . . . 0.0 110.226 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.1 -162.61 36.9 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -149.32 61.23 5.15 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.586 -0.949 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -73.15 -43.04 0.79 Allowed 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.313 1.165 . . . . 0.0 110.043 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.7 -46.76 0.74 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.888 -0.507 . . . . 0.0 110.168 -178.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -91.75 161.23 34.45 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.599 -0.688 . . . . 0.0 110.271 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.66 178.14 6.66 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.4 1.21 . . . . 0.0 110.397 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.1 ttt-85 -97.7 168.25 10.45 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.608 -0.682 . . . . 0.0 110.226 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.07 -175.22 28.77 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.34 -167.12 1.51 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.657 -0.908 . . . . 0.0 110.224 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -129.94 -167.81 1.86 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.558 -0.714 . . . . 0.0 110.165 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.5 t -149.97 178.11 9.23 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.521 -0.737 . . . . 0.0 110.215 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.9 p -62.35 -29.25 70.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.551 -0.718 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -81.59 -28.57 33.72 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.519 -0.738 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.82 -30.99 40.63 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.487 -0.758 . . . . 0.0 110.196 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.82 -29.82 61.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.56 -0.712 . . . . 0.0 110.121 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.45 -46.46 76.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.595 -0.691 . . . . 0.0 110.102 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -67.92 -30.65 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.628 -0.67 . . . . 0.0 109.846 179.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -65.37 -30.2 71.01 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.609 -0.682 . . . . 0.0 110.01 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -84.45 -29.17 26.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.609 -0.682 . . . . 0.0 110.14 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.5 m -84.66 -28.82 26.16 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.611 -0.681 . . . . 0.0 110.213 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -36.26 69.7 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.627 -0.671 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -69.12 -50.56 46.91 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.666 -0.646 . . . . 0.0 110.0 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -60.81 -25.94 66.95 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.585 -0.697 . . . . 0.0 110.196 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.414 ' CD2' HG12 ' A' ' 36' ' ' VAL . 40.0 t60 -63.21 -27.86 69.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.498 -0.751 . . . . 0.0 110.242 179.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -81.27 59.11 3.82 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.548 -0.72 . . . . 0.0 110.217 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -157.3 -44.18 0.07 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.611 -0.68 . . . . 0.0 109.846 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -118.81 27.74 8.71 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.702 -0.624 . . . . 0.0 110.392 179.651 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.443 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 87.0 m-70 -147.13 68.52 11.39 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.608 -0.682 . . . . 0.0 110.074 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.78 -48.74 0.28 Allowed 'Trans proline' 0 C--N 1.317 -1.126 0 O-C-N 123.297 1.156 . . . . 0.0 110.413 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -91.86 52.98 2.1 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.631 -0.668 . . . . 0.0 110.203 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.2 m -148.85 120.05 7.78 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.552 -0.718 . . . . 0.0 110.223 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -95.38 95.63 8.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.598 -0.689 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.428 ' CG2' ' CD1' ' A' ' 41' ' ' PHE . 12.7 p -85.82 146.72 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.578 -0.701 . . . . 0.0 110.345 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -123.18 -153.33 0.55 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.8 -52.5 3.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.36 -0.838 . . . . 0.0 110.031 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.74 -57.94 3.91 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.741 -0.6 . . . . 0.0 111.27 -179.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.49 -23.39 16.1 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.207 -0.933 . . . . 0.0 109.518 179.134 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CD1' ' CG2' ' A' ' 36' ' ' VAL . 56.8 t80 -96.17 -19.91 19.0 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 121.64 -0.663 . . . . 0.0 110.386 178.496 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -32.5 74.19 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.307 -0.87 . . . . 0.0 109.432 179.472 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -68.01 -20.31 65.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.853 -0.53 . . . . 0.0 110.716 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -84.39 -53.79 5.21 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.335 -0.853 . . . . 0.0 110.587 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -60.07 -29.04 68.29 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.545 -0.722 . . . . 0.0 110.438 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.9 p -63.11 -32.56 73.97 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.536 -0.727 . . . . 0.0 110.159 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.69 -30.37 70.6 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.546 -0.721 . . . . 0.0 110.086 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -92.68 -29.03 16.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.645 -0.66 . . . . 0.0 110.188 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -72.5 -52.34 16.16 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.52 -0.737 . . . . 0.0 110.089 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -63.03 -27.38 69.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.695 -0.628 . . . . 0.0 110.403 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.4 p -82.2 -29.45 31.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.528 -0.732 . . . . 0.0 110.268 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.5 mtp -61.6 165.32 5.09 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.541 -0.724 . . . . 0.0 110.171 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -108.16 -174.41 2.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.569 -0.707 . . . . 0.0 110.32 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.8 -21.91 62.42 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.63 -0.668 . . . . 0.0 110.586 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -68.62 -30.39 69.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.385 -0.822 . . . . 0.0 109.883 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -98.84 -41.14 7.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.655 -0.653 . . . . 0.0 109.949 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -65.01 -21.58 66.87 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.63 -0.669 . . . . 0.0 110.512 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 p -67.42 -31.23 71.29 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.424 -0.797 . . . . 0.0 110.336 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -66.15 -28.94 69.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.567 -0.708 . . . . 0.0 110.173 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -91.44 -28.47 17.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.588 -0.695 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -79.26 -28.51 42.37 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.591 -0.693 . . . . 0.0 110.248 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.16 -28.68 42.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.595 -0.69 . . . . 0.0 110.254 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.9 mmt -82.81 -28.84 29.96 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.551 -0.718 . . . . 0.0 110.126 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.88 -45.82 40.35 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.562 -0.711 . . . . 0.0 110.168 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -69.21 -28.32 66.26 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.629 -0.669 . . . . 0.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -28.82 69.39 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.551 -0.718 . . . . 0.0 110.172 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -102.83 -29.9 11.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.565 -0.709 . . . . 0.0 110.172 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -68.1 -30.56 69.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.636 -0.665 . . . . 0.0 110.227 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.66 -28.76 63.96 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.565 -0.709 . . . . 0.0 110.178 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -65.92 -28.95 69.3 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.621 -0.675 . . . . 0.0 110.152 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -65.13 -28.95 69.78 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.474 -0.766 . . . . 0.0 110.141 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.69 -30.67 67.31 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.645 -0.66 . . . . 0.0 110.17 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -102.58 33.54 3.13 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.632 -0.667 . . . . 0.0 110.177 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -105.17 -51.66 2.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.565 -0.709 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 43.2 mtt -99.95 34.83 2.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.591 -0.693 . . . . 0.0 110.233 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -135.21 33.59 3.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.519 -0.738 . . . . 0.0 110.219 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.8 t30 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.18 -179.959 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ttt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.153 0.502 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.68 61.21 0.33 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -88.83 -30.33 19.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.54 -0.977 . . . . 0.0 110.231 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.13 40.95 2.29 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -136.57 145.96 53.59 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.576 -0.955 . . . . 0.0 110.238 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.82 -167.95 0.46 Allowed 'Trans proline' 0 N--CA 1.489 1.228 0 O-C-N 123.375 1.197 . . . . 0.0 109.451 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.56 119.07 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.98 0.895 . . . . 0.0 112.094 176.388 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 mttt 58.22 164.57 0.08 OUTLIER Pre-proline 0 N--CA 1.501 2.109 0 O-C-N 121.242 -0.911 . . . . 0.0 110.697 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.88 -165.34 0.25 Allowed 'Trans proline' 0 C--N 1.319 -1.01 0 O-C-N 123.462 1.243 . . . . 0.0 110.531 -179.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.72 33.82 1.79 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.67 -0.643 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.69 -178.91 23.39 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -92.04 -166.53 1.57 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.629 -0.924 . . . . 0.0 110.156 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.9 mtt -132.27 -170.94 2.52 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.661 -0.65 . . . . 0.0 110.235 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 t -153.56 178.7 9.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.555 -0.715 . . . . 0.0 110.214 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.6 p -68.65 -28.7 67.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.58 -0.7 . . . . 0.0 110.19 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -77.49 -28.71 52.28 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.599 -0.688 . . . . 0.0 110.132 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.07 -31.9 50.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.532 -0.73 . . . . 0.0 110.188 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.69 -28.96 33.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.607 -0.683 . . . . 0.0 110.147 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.69 -41.9 95.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.658 -0.652 . . . . 0.0 110.169 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.15 -29.8 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.633 -0.667 . . . . 0.0 109.919 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.36 -46.11 28.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.706 . . . . 0.0 110.179 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.8 m -66.3 -27.75 68.16 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.535 -0.728 . . . . 0.0 110.253 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -86.05 -28.33 24.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.529 -0.732 . . . . 0.0 110.382 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -39.11 63.72 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.604 -0.685 . . . . 0.0 110.115 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.16 -41.08 97.96 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.536 -0.727 . . . . 0.0 109.926 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.32 -17.56 56.4 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.628 -0.67 . . . . 0.0 110.709 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -64.62 -47.8 77.26 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.343 -0.848 . . . . 0.0 110.292 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -60.24 -27.78 67.5 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -64.29 -27.25 68.91 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.509 -0.745 . . . . 0.0 110.404 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -125.26 17.46 8.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.531 -0.731 . . . . 0.0 110.964 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 80.1 m-70 -145.79 66.47 11.85 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.314 -0.866 . . . . 0.0 110.005 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.83 -31.13 10.6 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 O-C-N 123.261 1.137 . . . . 0.0 110.498 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -104.77 53.08 0.73 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.53 -0.732 . . . . 0.0 110.337 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 t -168.39 134.94 1.95 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.508 -0.745 . . . . 0.0 110.389 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.8 t -89.43 179.97 5.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.605 -0.684 . . . . 0.0 109.932 179.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.9 p -168.13 89.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.466 -0.771 . . . . 0.0 110.712 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -70.95 -168.2 0.26 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.348 -0.845 . . . . 0.0 109.459 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -80.79 -48.3 12.67 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.361 -0.837 . . . . 0.0 110.202 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.49 -40.42 73.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.267 -0.895 . . . . 0.0 110.618 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -63.26 -16.35 59.99 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.066 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -114.41 -46.13 2.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.313 -0.867 . . . . 0.0 110.752 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.0 p -55.05 -24.13 23.48 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.518 -0.739 . . . . 0.0 110.138 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -30.48 64.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.584 -0.697 . . . . 0.0 109.563 179.205 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.22 -39.08 16.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.636 -0.665 . . . . 0.0 110.165 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.9 m -61.59 -29.1 69.82 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.489 -0.757 . . . . 0.0 110.015 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.3 p -66.18 -31.84 72.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.535 -0.728 . . . . 0.0 110.022 179.663 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -67.29 -29.3 68.86 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.637 -0.664 . . . . 0.0 110.0 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -91.07 -42.61 10.4 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.567 -0.708 . . . . 0.0 109.997 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.412 ' CH2' ' HG2' ' A' ' 57' ' ' LYS . 75.8 t-105 -64.51 -28.49 69.69 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.562 -0.711 . . . . 0.0 110.113 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -75.09 -24.23 58.1 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.552 -0.718 . . . . 0.0 110.544 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -102.29 -21.43 14.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.495 -0.753 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 58.2 mtp -56.66 146.63 24.92 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.8 p -93.69 -177.11 4.27 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.608 -0.683 . . . . 0.0 110.417 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.48 -22.85 62.62 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.663 -0.648 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -67.31 -30.57 70.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.355 -0.841 . . . . 0.0 109.773 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -98.34 -43.07 7.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.744 -0.598 . . . . 0.0 109.905 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 30.8 mtpt -65.88 -21.8 66.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.599 -0.688 . . . . 0.0 110.343 179.696 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 p -63.1 -31.62 72.81 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.392 -0.817 . . . . 0.0 110.306 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -64.26 -29.62 70.71 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.572 -0.705 . . . . 0.0 110.189 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -91.14 -28.67 17.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.524 -0.735 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.79 -28.68 62.73 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.526 -0.734 . . . . 0.0 110.236 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.03 -28.72 57.82 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.582 -0.698 . . . . 0.0 110.149 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.8 mtt -80.74 -28.72 36.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.509 -0.745 . . . . 0.0 110.156 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.75 -32.13 46.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.557 -0.715 . . . . 0.0 110.142 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -75.19 -29.07 60.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 0.0 110.157 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.6 t -70.74 -30.12 66.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.616 -0.677 . . . . 0.0 110.019 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -84.16 -29.43 26.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.599 -0.688 . . . . 0.0 110.103 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -70.64 -32.46 69.78 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.604 -0.685 . . . . 0.0 110.096 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.68 -31.43 24.13 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.562 -0.711 . . . . 0.0 110.135 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -65.86 -23.13 66.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.6 -0.688 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -57.4 -27.54 62.45 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.473 -0.767 . . . . 0.0 110.53 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.19 -31.49 70.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.558 -0.714 . . . . 0.0 110.112 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -110.41 31.21 6.11 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.677 -0.639 . . . . 0.0 110.149 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.26 -33.22 8.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.613 -0.679 . . . . 0.0 110.227 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 71.4 mtp -91.37 -31.42 16.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.603 -0.685 . . . . 0.0 110.219 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -89.09 153.62 20.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.489 -0.757 . . . . 0.0 110.183 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 t30 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.177 179.985 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtm . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.075 0.464 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.27 102.93 0.24 Allowed Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -142.12 -55.04 0.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.654 -0.909 . . . . 0.0 110.116 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.98 154.99 51.5 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.434 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.2 -60.17 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.581 -0.952 . . . . 0.0 110.331 179.829 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.2 Cg_endo -73.22 -42.85 0.83 Allowed 'Trans proline' 0 N--CA 1.487 1.114 0 O-C-N 123.137 1.072 . . . . 0.0 110.082 -179.881 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.93 -43.98 1.65 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.817 -0.552 . . . . 0.0 110.349 -178.865 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -84.35 151.68 59.82 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.517 -0.739 . . . . 0.0 110.34 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -73.13 164.7 34.71 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 O-C-N 123.486 1.256 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -109.0 29.95 7.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.602 -0.686 . . . . 0.0 110.355 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.72 -167.34 48.17 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -107.03 -178.36 3.63 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.52 -0.988 . . . . 0.0 110.24 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.417 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -147.28 113.43 5.85 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.588 -0.695 . . . . 0.0 110.34 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.1 t -72.0 178.56 3.69 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.479 -0.763 . . . . 0.0 110.17 -179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.6 p -63.53 -31.4 72.55 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.666 -0.646 . . . . 0.0 110.179 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -64.6 -28.99 70.0 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.574 -0.704 . . . . 0.0 110.201 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.52 -29.69 59.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.601 -0.687 . . . . 0.0 110.065 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.417 ' CE2' ' HG3' ' A' ' 13' ' ' MET . 11.1 m-85 -79.58 -28.79 41.1 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.579 -0.701 . . . . 0.0 110.218 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -64.09 -47.26 80.73 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.558 -0.714 . . . . 0.0 110.172 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.33 -28.87 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.581 -0.699 . . . . 0.0 110.097 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -77.01 -34.9 57.37 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.513 -0.742 . . . . 0.0 110.235 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.0 m -83.8 -29.15 27.6 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.559 -0.713 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.3 m -83.22 -30.25 27.87 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.586 -0.696 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -62.74 -43.79 97.89 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.546 -0.721 . . . . 0.0 110.06 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -65.57 -32.0 73.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.551 -0.718 . . . . 0.0 109.998 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -95.99 25.06 5.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.613 -0.679 . . . . 0.0 110.31 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -105.13 -45.68 4.45 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.455 -0.778 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.31 -27.01 66.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.591 -0.693 . . . . 0.0 110.404 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -60.92 -26.39 67.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.589 -0.695 . . . . 0.0 110.515 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 1.3 ptmt -132.8 20.95 4.19 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.472 -0.767 . . . . 0.0 110.983 -179.848 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 80.9 m-70 -145.05 63.69 10.32 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.335 -0.853 . . . . 0.0 110.138 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.04 -37.43 3.51 Favored 'Trans proline' 0 C--N 1.318 -1.063 0 O-C-N 123.353 1.186 . . . . 0.0 110.311 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -83.73 -31.08 26.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.642 -0.662 . . . . 0.0 110.16 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.8 t -90.54 132.37 35.74 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.65 -0.656 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p -95.76 -167.48 1.61 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.585 -0.697 . . . . 0.0 110.167 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.401 ' CG2' ' HB2' ' A' ' 41' ' ' PHE . 10.1 p -166.46 103.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.627 -0.67 . . . . 0.0 110.082 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -105.79 51.56 0.75 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.303 -0.873 . . . . 0.0 110.573 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 65.44 -62.78 0.22 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.866 -0.521 . . . . 0.0 111.287 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.13 90.83 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.043 -1.035 . . . . 0.0 111.049 -178.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.67 -18.38 41.67 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.412 -0.805 . . . . 0.0 110.017 179.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' HB2' ' CG2' ' A' ' 36' ' ' VAL . 2.1 t80 -107.2 -46.0 3.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.464 -0.773 . . . . 0.0 110.745 -179.775 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.2 p -55.22 -25.4 32.91 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.703 -0.623 . . . . 0.0 110.386 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -83.6 -28.42 28.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.568 -0.708 . . . . 0.0 109.961 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.94 -45.22 8.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.556 -0.715 . . . . 0.0 110.4 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.6 m -59.61 -25.69 64.85 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.637 -0.665 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.8 p -69.4 -37.59 77.55 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.495 -0.753 . . . . 0.0 109.724 179.421 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.6 -42.03 95.84 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.638 -0.663 . . . . 0.0 109.685 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -78.42 -39.29 39.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.679 -0.638 . . . . 0.0 109.769 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.418 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 72.5 t-105 -62.09 -51.3 68.5 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.575 -0.703 . . . . 0.0 109.63 179.607 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -61.95 -25.43 67.59 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.588 -0.695 . . . . 0.0 110.418 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -97.66 -12.52 22.31 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.471 -0.768 . . . . 0.0 110.991 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 mmm -56.92 170.86 0.39 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.229 -0.92 . . . . 0.0 110.558 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -102.98 166.08 10.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.575 -0.703 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.98 -18.5 65.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.671 -0.643 . . . . 0.0 110.783 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -73.25 -29.9 63.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.33 -0.856 . . . . 0.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -98.97 -37.14 9.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.667 -0.646 . . . . 0.0 110.102 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.418 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 27.1 mtmt -71.58 -21.91 61.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.628 -0.67 . . . . 0.0 110.457 179.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.9 p -69.84 -29.3 66.52 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.429 -0.794 . . . . 0.0 110.388 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -66.45 -28.65 68.76 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.568 -0.708 . . . . 0.0 110.245 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -93.76 -28.51 15.88 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.541 -0.725 . . . . 0.0 110.341 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -71.7 -27.96 63.38 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.498 -0.751 . . . . 0.0 110.337 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.5 -27.57 46.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.54 -0.725 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 50.3 mtt -82.19 -27.68 32.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.572 -0.705 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.93 -28.16 39.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.563 -0.71 . . . . 0.0 110.352 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -72.78 -28.05 62.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.412 -0.805 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -61.62 -54.54 41.59 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.516 -0.74 . . . . 0.0 110.247 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.85 -31.89 72.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.62 -0.675 . . . . 0.0 110.356 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -64.91 -28.11 69.31 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.563 -0.711 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.95 -28.41 14.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.62 -0.675 . . . . 0.0 110.351 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -79.32 -27.45 42.1 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.608 -0.682 . . . . 0.0 110.345 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.75 -28.63 68.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.53 -0.731 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.69 -37.11 84.06 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.615 -0.678 . . . . 0.0 110.153 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -110.36 39.12 2.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.517 -0.74 . . . . 0.0 110.198 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -98.67 -52.77 3.5 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.567 -0.708 . . . . 0.0 110.25 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 9.7 ptm -144.0 40.12 1.37 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.549 -0.72 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -110.95 128.98 56.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.511 -0.743 . . . . 0.0 110.263 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.1 t30 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.167 -179.905 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 ttp . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.073 0.463 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.79 112.75 0.21 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 30.0 0.76 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.556 -0.967 . . . . 0.0 110.288 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.05 172.64 20.87 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -150.18 54.34 1.49 Allowed Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.537 -0.978 . . . . 0.0 110.231 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -72.93 -42.89 0.9 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.35 1.184 . . . . 0.0 110.072 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.55 -49.78 0.45 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.852 -0.53 . . . . 0.0 110.108 -179.002 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 162.27 50.32 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 121.638 -0.664 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.46 165.09 33.68 Favored 'Trans proline' 0 C--N 1.317 -1.115 0 O-C-N 123.472 1.248 . . . . 0.0 110.443 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -79.78 154.38 28.53 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.565 -0.709 . . . . 0.0 110.191 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.11 168.39 29.54 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -108.25 -168.68 1.39 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.62 -0.929 . . . . 0.0 110.152 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 mmt -103.83 -166.34 1.25 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.547 -0.721 . . . . 0.0 110.086 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -157.45 179.24 9.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.583 -0.698 . . . . 0.0 110.124 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.6 p -58.76 -27.59 65.11 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.586 -0.696 . . . . 0.0 110.482 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -79.25 -28.94 42.41 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.641 -0.662 . . . . 0.0 110.216 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.08 -36.8 34.99 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.587 -0.695 . . . . 0.0 110.276 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -70.27 -29.25 65.98 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.502 -0.749 . . . . 0.0 110.071 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -62.87 -45.5 92.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.576 -0.702 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -76.99 -34.04 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.527 -0.733 . . . . 0.0 109.918 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -67.99 -37.44 81.48 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.59 -0.694 . . . . 0.0 110.117 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.1 m -81.34 -28.72 34.39 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.604 -0.685 . . . . 0.0 110.145 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.7 m -79.57 -25.43 41.6 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.582 -0.699 . . . . 0.0 110.375 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -75.6 -46.94 28.85 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.549 -0.72 . . . . 0.0 109.977 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -59.47 -26.91 65.64 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.545 -0.722 . . . . 0.0 110.43 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -87.96 -24.75 23.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.588 -0.695 . . . . 0.0 110.342 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -66.73 -46.75 74.46 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.419 -0.801 . . . . 0.0 110.191 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -61.31 -30.08 70.27 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.59 -0.694 . . . . 0.0 110.496 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -60.8 -27.09 67.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.574 -0.704 . . . . 0.0 110.41 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -125.98 17.87 7.87 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.478 -0.764 . . . . 0.0 111.02 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.414 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 79.7 m-70 -145.22 74.51 14.17 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.311 -0.868 . . . . 0.0 110.109 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.9 -38.67 2.8 Favored 'Trans proline' 0 C--N 1.316 -1.154 0 O-C-N 123.321 1.169 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.66 48.75 0.9 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.564 -0.71 . . . . 0.0 110.224 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.67 106.84 0.98 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.512 -0.743 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.2 m -74.22 -168.52 0.65 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.579 -0.701 . . . . 0.0 110.191 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -168.11 91.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.634 -0.666 . . . . 0.0 110.798 -179.433 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -63.64 144.69 56.81 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.18 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -53.73 -36.27 62.11 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.108 -0.995 . . . . 0.0 110.658 -178.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.26 -44.05 48.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.237 -0.914 . . . . 0.0 109.944 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.4 -16.51 60.72 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.709 178.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -109.64 -48.88 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.345 -0.847 . . . . 0.0 111.303 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.3 p -53.65 -25.91 20.01 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.205 -0.934 . . . . 0.0 110.374 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -33.34 64.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.61 -0.681 . . . . 0.0 109.459 179.19 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -82.32 -34.62 28.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.724 -0.61 . . . . 0.0 109.889 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.2 m -61.94 -29.65 70.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.688 -0.632 . . . . 0.0 109.938 179.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.5 p -61.53 -35.26 77.25 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.603 -0.686 . . . . 0.0 109.945 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -63.76 -31.37 72.52 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.629 -0.669 . . . . 0.0 109.732 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -92.08 -33.96 14.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.668 -0.645 . . . . 0.0 109.983 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.412 ' CH2' ' HG2' ' A' ' 57' ' ' LYS . 72.6 t-105 -68.61 -36.93 79.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.678 -0.639 . . . . 0.0 109.976 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -27.77 54.39 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.698 -0.626 . . . . 0.0 110.276 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.0 p -87.09 -26.32 23.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.576 -0.703 . . . . 0.0 110.449 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.3 mtp -59.46 158.78 9.05 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.505 -0.747 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.8 m -101.86 -172.62 2.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.495 -0.753 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.77 -11.72 60.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.524 -0.735 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -73.21 -30.33 63.44 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.179 -0.95 . . . . 0.0 109.882 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -101.64 -39.9 7.25 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.678 -0.639 . . . . 0.0 109.963 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 11.5 mtpp -66.25 -25.73 67.02 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.671 -0.643 . . . . 0.0 110.266 179.827 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.6 p -62.81 -40.59 97.84 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.427 -0.796 . . . . 0.0 110.347 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -62.3 -37.77 86.82 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.576 -0.702 . . . . 0.0 110.266 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -74.61 -31.33 61.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.513 -0.742 . . . . 0.0 110.132 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -82.93 -28.53 29.82 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.567 -0.708 . . . . 0.0 110.184 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.87 -28.3 64.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.504 -0.747 . . . . 0.0 110.207 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.8 mtp -83.92 -28.58 27.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.563 -0.711 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.92 -38.77 64.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.512 -0.743 . . . . 0.0 110.215 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -66.66 -28.67 68.65 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.512 -0.742 . . . . 0.0 110.172 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.6 t -63.9 -38.33 90.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.632 -0.667 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -92.02 -28.42 17.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.594 -0.691 . . . . 0.0 110.303 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -68.32 -28.32 67.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.55 -0.719 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.27 64.79 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.538 -0.726 . . . . 0.0 110.202 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -62.03 -28.38 69.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.47 -0.769 . . . . 0.0 110.249 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -64.36 -29.77 70.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.577 -0.702 . . . . 0.0 110.252 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.45 -36.54 83.05 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.619 -0.676 . . . . 0.0 110.224 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -103.93 39.66 1.59 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.542 -0.724 . . . . 0.0 110.201 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -113.77 -50.68 2.82 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.588 -0.695 . . . . 0.0 110.248 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 37.4 mtt -87.32 -55.46 3.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.572 -0.705 . . . . 0.0 110.179 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt 52.47 -170.42 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.388 -0.82 . . . . 0.0 110.8 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.0 t30 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.238 179.948 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 mmm . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.098 0.475 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.25 -141.86 6.97 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -158.61 94.66 1.27 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.61 -0.935 . . . . 0.0 110.156 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.51 42.51 2.04 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -157.06 168.66 12.04 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.938 . . . . 0.0 110.267 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -74.39 -43.58 0.49 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 O-C-N 123.38 1.2 . . . . 0.0 110.365 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.1 42.25 1.11 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.799 -0.563 . . . . 0.0 110.668 -178.567 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -139.13 157.96 70.25 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.467 -0.77 . . . . 0.0 110.191 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.6 162.75 40.47 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 O-C-N 123.432 1.227 . . . . 0.0 110.471 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.3 115.58 30.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.577 -0.702 . . . . 0.0 110.247 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.09 46.75 0.03 OUTLIER Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -122.95 -177.93 3.81 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.538 -0.977 . . . . 0.0 110.215 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.99 -168.76 1.97 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.613 -0.679 . . . . 0.0 110.12 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 t -156.54 -179.01 7.77 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.582 -0.699 . . . . 0.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -76.71 -28.72 55.95 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.583 -0.698 . . . . 0.0 110.115 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -77.07 -28.78 54.76 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.633 -0.667 . . . . 0.0 110.138 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.38 -30.52 42.56 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.615 -0.678 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -73.84 -29.54 62.18 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.601 -0.687 . . . . 0.0 109.972 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.457 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 27.3 t80 -61.93 -55.2 32.04 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.662 -0.648 . . . . 0.0 110.082 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.73 -29.69 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.545 -0.722 . . . . 0.0 109.677 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.63 -50.86 61.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.59 -0.693 . . . . 0.0 109.746 179.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 56.6 m -69.82 -33.25 72.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.576 -0.703 . . . . 0.0 109.764 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 70.5 m -75.55 -29.55 59.42 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.665 -0.647 . . . . 0.0 109.749 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -66.88 -46.55 74.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.603 -0.686 . . . . 0.0 109.805 179.542 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -60.97 -32.02 71.59 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.557 -0.714 . . . . 0.0 109.472 179.297 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -72.02 -13.54 61.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.736 -0.602 . . . . 0.0 110.255 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 72.6 t60 -95.01 26.19 3.78 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.369 -0.832 . . . . 0.0 109.974 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -112.33 29.15 8.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.149 -0.97 . . . . 0.0 110.293 179.381 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -122.03 -82.21 0.65 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.438 -0.789 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -93.26 49.56 1.42 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.146 -0.971 . . . . 0.0 109.759 179.599 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 32.5 m80 -142.11 53.32 3.03 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.62 -0.675 . . . . 0.0 109.861 -179.419 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.6 Cg_endo -73.23 -49.03 0.24 Allowed 'Trans proline' 0 C--N 1.318 -1.035 0 O-C-N 123.268 1.141 . . . . 0.0 110.51 -179.674 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -97.16 36.24 1.47 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.616 -0.677 . . . . 0.0 110.202 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.9 m -141.86 86.09 1.97 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.585 -0.697 . . . . 0.0 110.218 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.7 m -71.93 171.85 11.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.59 -0.694 . . . . 0.0 110.131 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -146.21 105.79 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.561 -179.357 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -92.08 50.12 1.62 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.442 -0.786 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 67.33 -57.83 0.43 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.687 -0.633 . . . . 0.0 110.712 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.57 85.35 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.834 -1.166 . . . . 0.0 110.775 -179.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -59.97 -18.01 42.45 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.477 -0.764 . . . . 0.0 110.403 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 23' ' ' SER . 14.0 t80 -112.09 -47.44 3.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.376 -0.828 . . . . 0.0 110.772 -179.682 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -54.47 -25.59 26.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.61 -0.681 . . . . 0.0 110.312 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -69.06 -29.8 68.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.633 -0.667 . . . . 0.0 109.617 179.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.65 -44.67 9.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.718 -0.614 . . . . 0.0 110.141 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.6 m -61.55 -29.16 69.83 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.61 -0.681 . . . . 0.0 110.033 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.5 p -66.44 -33.94 76.82 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.498 -0.751 . . . . 0.0 109.919 179.582 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -66.71 -34.4 77.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.685 -0.634 . . . . 0.0 109.849 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -89.06 -36.96 15.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.581 -0.7 . . . . 0.0 110.009 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.457 ' CE3' ' CD1' ' A' ' 19' ' ' PHE . 63.0 t-105 -63.04 -47.3 83.6 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.594 -0.691 . . . . 0.0 109.957 179.76 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -65.7 -28.33 68.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.572 -0.705 . . . . 0.0 110.214 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -95.9 -8.79 33.03 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.489 -0.757 . . . . 0.0 111.077 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.5 mmm -58.33 163.74 2.86 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.101 -0.999 . . . . 0.0 110.411 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -93.81 168.09 11.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.624 -0.673 . . . . 0.0 110.32 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -23.68 65.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.577 -0.702 . . . . 0.0 110.444 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -69.21 -30.94 69.22 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.452 -0.78 . . . . 0.0 109.91 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -95.05 -40.41 9.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.773 -0.579 . . . . 0.0 109.976 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -67.25 -21.23 65.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.69 -0.632 . . . . 0.0 110.438 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 p -78.1 -30.15 49.36 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.357 -0.84 . . . . 0.0 110.369 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -65.08 -28.96 69.82 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.599 -0.688 . . . . 0.0 110.258 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -86.22 -28.88 23.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.653 -0.654 . . . . 0.0 110.188 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -73.39 -29.34 62.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.663 -0.648 . . . . 0.0 110.187 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.5 -28.47 61.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.662 -0.648 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.2 mmt -83.36 -29.64 28.06 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.524 -0.735 . . . . 0.0 110.224 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.07 -37.35 46.77 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.525 -0.734 . . . . 0.0 110.214 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -66.1 -30.11 70.55 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.574 -0.704 . . . . 0.0 110.107 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.1 t -62.87 -35.01 78.58 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.56 -0.713 . . . . 0.0 110.073 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -86.08 -38.74 17.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.579 -0.701 . . . . 0.0 110.171 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -30.27 70.97 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.572 -0.705 . . . . 0.0 110.149 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.35 -27.83 25.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.589 -0.695 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -95.76 23.49 6.19 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.525 -0.734 . . . . 0.0 110.564 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -135.56 26.1 3.42 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.37 -0.831 . . . . 0.0 110.444 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -94.11 -39.26 10.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.566 -0.709 . . . . 0.0 110.102 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -102.84 30.57 4.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.535 -0.728 . . . . 0.0 110.216 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.25 -57.35 3.54 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.616 -0.678 . . . . 0.0 110.169 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.2 mmt -103.42 35.03 2.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.635 -0.666 . . . . 0.0 110.223 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -112.44 40.55 2.2 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.574 -0.703 . . . . 0.0 110.265 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.221 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mtt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.12 0.486 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.56 -113.19 4.18 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -150.31 -52.37 0.14 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.512 -0.993 . . . . 0.0 110.187 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.44 -103.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.438 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -170.29 -61.45 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 121.615 -0.932 . . . . 0.0 110.293 179.623 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 56.1 Cg_endo -75.01 -42.67 0.47 Allowed 'Trans proline' 0 N--CA 1.486 1.061 0 O-C-N 123.009 1.005 . . . . 0.0 109.642 179.709 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.72 -79.66 0.08 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.82 -178.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? 61.51 141.91 0.05 OUTLIER Pre-proline 0 N--CA 1.504 2.258 0 O-C-N 121.329 -0.857 . . . . 0.0 110.895 179.589 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.28 156.6 54.84 Favored 'Trans proline' 0 N--CA 1.484 0.961 0 O-C-N 122.989 0.994 . . . . 0.0 110.098 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.2 37.68 1.31 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.493 -0.754 . . . . 0.0 110.271 -179.875 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.46 46.3 10.12 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.2 mttp 53.1 -163.83 0.09 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.491 -1.005 . . . . 0.0 110.706 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.407 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 38.1 mtp -134.69 122.61 22.45 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.551 -0.718 . . . . 0.0 110.127 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -96.58 179.27 5.06 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.566 -0.709 . . . . 0.0 110.207 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.5 p -69.9 -28.72 65.85 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.637 -0.664 . . . . 0.0 110.213 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -72.21 -28.91 63.48 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.536 -0.727 . . . . 0.0 110.176 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.05 -30.08 58.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.521 -0.737 . . . . 0.0 110.143 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 15.4 m-85 -79.25 -28.66 42.43 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.561 -0.712 . . . . 0.0 110.178 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.06 -50.8 66.98 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.618 -0.676 . . . . 0.0 110.13 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.0 t -72.73 -35.54 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.563 -0.71 . . . . 0.0 109.966 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -66.51 -45.86 78.13 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.454 -0.779 . . . . 0.0 110.129 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.7 m -70.85 -28.96 64.97 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.566 -0.709 . . . . 0.0 110.113 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -87.51 4.22 44.35 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.621 -0.674 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.29 -45.58 8.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.184 -0.948 . . . . 0.0 109.939 179.837 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.66 -37.9 83.09 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.615 -0.678 . . . . 0.0 109.796 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -67.73 -23.84 65.3 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.682 -0.636 . . . . 0.0 110.239 179.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.91 -27.75 64.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.509 -0.744 . . . . 0.0 110.122 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -82.19 4.72 22.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.473 -0.767 . . . . 0.0 111.268 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -100.44 -17.0 17.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.093 -1.005 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -135.58 22.97 3.4 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.277 -0.889 . . . . 0.0 111.049 -179.667 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 82.7 m-70 -145.73 84.98 7.97 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.324 -0.86 . . . . 0.0 110.354 179.717 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.77 -29.24 10.72 Favored 'Trans proline' 0 C--N 1.316 -1.181 0 O-C-N 123.503 1.265 . . . . 0.0 110.395 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -124.1 54.06 1.37 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.549 -0.72 . . . . 0.0 110.443 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.7 97.47 2.37 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.526 -0.734 . . . . 0.0 110.191 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -82.72 170.95 14.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.611 -0.68 . . . . 0.0 110.66 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -147.52 107.39 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-O 121.251 0.548 . . . . 0.0 110.338 -179.415 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -88.67 53.3 2.67 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.411 -0.806 . . . . 0.0 110.224 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 64.45 -61.58 0.19 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 122.063 -0.398 . . . . 0.0 111.493 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.17 89.72 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.005 -1.06 . . . . 0.0 111.154 -179.03 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.24 -15.24 59.67 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.316 -0.865 . . . . 0.0 110.432 179.639 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -117.62 -45.85 2.68 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 0.0 110.439 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.4 p -55.87 -24.73 38.79 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.602 -0.686 . . . . 0.0 110.092 179.225 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -67.98 -29.8 68.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.576 -0.703 . . . . 0.0 109.694 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -88.74 -38.3 14.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.73 -0.606 . . . . 0.0 110.225 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.9 m -63.42 -29.62 70.89 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.546 -0.721 . . . . 0.0 110.005 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -67.08 -34.85 78.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.546 -0.721 . . . . 0.0 109.897 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -66.01 -33.29 75.47 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.563 -0.71 . . . . 0.0 109.87 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -88.34 -38.68 14.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.623 -0.673 . . . . 0.0 110.017 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -61.88 -52.41 64.22 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.603 -0.685 . . . . 0.0 110.037 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -62.83 -26.06 68.57 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.579 -0.701 . . . . 0.0 110.523 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.3 p -95.13 -14.44 24.18 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.525 -0.735 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mmm -56.47 162.74 2.03 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.154 -0.966 . . . . 0.0 110.582 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -91.17 176.0 6.74 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.536 -0.728 . . . . 0.0 110.45 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.09 -24.72 60.69 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.662 -0.649 . . . . 0.0 110.359 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -68.18 -31.88 71.73 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.495 -0.753 . . . . 0.0 109.759 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -92.82 -39.22 11.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.673 -0.642 . . . . 0.0 109.92 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -63.25 -22.8 67.1 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.69 -0.631 . . . . 0.0 110.328 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.0 p -77.88 -30.87 50.99 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.411 -0.805 . . . . 0.0 110.281 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -62.42 -29.71 70.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.525 -0.734 . . . . 0.0 110.201 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -89.74 -28.92 19.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.555 -0.716 . . . . 0.0 110.204 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.23 -28.85 47.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.517 -0.74 . . . . 0.0 110.208 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.53 -29.02 63.22 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.556 -0.715 . . . . 0.0 110.164 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 49.1 mmm -82.75 -29.7 29.53 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.581 -0.699 . . . . 0.0 110.144 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.64 -33.7 31.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.475 -0.766 . . . . 0.0 110.071 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -66.37 -33.95 76.88 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.566 -0.709 . . . . 0.0 110.092 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.6 t -69.73 -30.55 68.19 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.601 -0.687 . . . . 0.0 110.109 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.93 -35.06 29.52 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.598 -0.689 . . . . 0.0 110.114 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -40.26 87.86 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.622 -0.674 . . . . 0.0 110.329 179.914 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.26 -44.91 62.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.573 -0.704 . . . . 0.0 109.938 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -65.55 -14.16 60.49 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.681 -0.637 . . . . 0.0 110.617 179.672 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -93.91 24.44 4.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.21 -0.931 . . . . 0.0 110.562 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -83.27 -28.64 28.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.363 -0.835 . . . . 0.0 110.184 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -102.84 29.28 5.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.546 -0.721 . . . . 0.0 110.13 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -141.0 -45.36 0.39 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.591 -0.693 . . . . 0.0 110.24 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -31.11 25.49 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.47 -0.769 . . . . 0.0 110.207 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -88.67 -57.9 2.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.59 -0.693 . . . . 0.0 110.242 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.168 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ptp . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.137 0.494 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.99 32.07 8.15 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -115.48 -36.7 4.2 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.587 -0.949 . . . . 0.0 110.187 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.31 155.34 49.45 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.433 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.79 -60.09 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.468 -1.019 . . . . 0.0 110.246 179.702 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.4 Cg_endo -72.84 -42.2 1.19 Allowed 'Trans proline' 0 N--CA 1.488 1.16 0 O-C-N 123.074 1.039 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.14 -53.78 2.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 122.004 -0.435 . . . . 0.0 110.397 -178.866 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.97 159.6 56.97 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.586 -0.697 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.84 166.8 28.98 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 O-C-N 123.381 1.2 . . . . 0.0 110.337 179.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -98.92 29.94 3.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.518 -0.739 . . . . 0.0 110.427 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.24 -170.71 43.29 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -110.46 -33.92 6.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.604 -0.939 . . . . 0.0 110.206 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.6 mtm 53.88 -177.32 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.466 -0.771 . . . . 0.0 110.709 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.5 t -146.48 -179.56 6.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.628 -0.67 . . . . 0.0 110.207 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.3 p -59.48 -29.16 67.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.562 -0.711 . . . . 0.0 110.435 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -75.82 -40.94 54.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.48 -0.763 . . . . 0.0 110.101 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.27 -34.43 76.17 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.541 -0.724 . . . . 0.0 110.007 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -73.7 -29.01 62.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.616 -0.678 . . . . 0.0 110.02 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -61.73 -55.61 28.46 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.569 -0.707 . . . . 0.0 110.079 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.78 -31.09 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.522 -0.736 . . . . 0.0 109.57 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -68.89 -47.47 65.78 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.599 -0.688 . . . . 0.0 109.792 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 m -77.78 -31.71 52.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.675 -0.64 . . . . 0.0 109.74 179.568 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.5 m -70.49 -31.08 68.05 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.608 -0.683 . . . . 0.0 109.822 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -69.93 -42.86 72.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.661 -0.65 . . . . 0.0 109.535 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -63.19 -36.25 83.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.659 -0.65 . . . . 0.0 109.288 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.76 -21.57 66.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.727 -0.608 . . . . 0.0 109.869 179.049 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 63.7 t60 -95.07 34.91 1.32 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.437 -0.789 . . . . 0.0 109.939 179.614 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -120.04 27.16 8.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.083 -1.011 . . . . 0.0 110.408 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.66 -80.61 0.63 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.477 -0.764 . . . . 0.0 110.193 179.908 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -93.39 51.27 1.59 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.284 -0.885 . . . . 0.0 109.846 179.633 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 32.2 m80 -143.15 53.35 2.56 Favored Pre-proline 0 N--CA 1.494 1.737 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.875 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 47.4 Cg_endo -72.86 -49.23 0.25 Allowed 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.285 1.15 . . . . 0.0 110.563 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -87.86 -27.51 22.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.643 -0.661 . . . . 0.0 110.408 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.1 t -76.96 85.52 3.49 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.545 -0.722 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 t -72.5 175.09 6.58 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.523 -0.736 . . . . 0.0 110.195 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -146.62 79.95 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.749 -179.245 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 39' ' ' ALA . 4.3 p-10 -71.98 63.6 0.49 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.437 -0.789 . . . . 0.0 110.184 179.561 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 56.86 -81.21 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.766 -0.584 . . . . 0.0 111.565 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -44.12 -45.91 8.41 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.329 -0.857 . . . . 0.0 112.826 -178.521 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -20.89 51.12 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.262 -0.899 . . . . 0.0 110.14 179.522 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -110.27 -39.57 4.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.462 -0.774 . . . . 0.0 109.928 179.396 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 p -56.85 -23.46 44.37 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.408 0.623 . . . . 0.0 109.971 179.304 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -88.91 -27.65 20.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.606 -0.684 . . . . 0.0 110.266 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -85.05 -37.45 20.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.566 -0.708 . . . . 0.0 110.778 -179.62 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.7 p -58.83 -30.11 67.41 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.382 -0.824 . . . . 0.0 110.305 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.5 p -69.49 -40.1 77.24 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.59 -0.694 . . . . 0.0 109.956 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.99 -32.77 74.43 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.519 -0.738 . . . . 0.0 109.799 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -83.57 -39.66 20.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.585 -0.697 . . . . 0.0 110.046 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -69.49 -36.45 76.53 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.623 -0.673 . . . . 0.0 109.953 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -71.77 -29.45 64.5 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.61 -0.681 . . . . 0.0 110.006 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.7 p -83.46 -27.31 29.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.613 -0.679 . . . . 0.0 110.235 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.6 mmm -59.73 147.44 37.77 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.48 -0.763 . . . . 0.0 110.271 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.1 m -100.03 -177.48 3.55 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.615 -0.678 . . . . 0.0 110.297 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.54 -22.69 64.49 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.6 -0.687 . . . . 0.0 110.631 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -69.17 -30.29 68.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.438 -0.789 . . . . 0.0 109.92 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -99.39 -42.36 7.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.718 -0.614 . . . . 0.0 109.96 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -63.24 -22.45 66.88 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.668 -0.645 . . . . 0.0 110.449 179.758 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.1 p -60.97 -29.93 69.96 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.512 -0.743 . . . . 0.0 110.331 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -65.88 -29.25 69.66 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.565 -0.709 . . . . 0.0 110.162 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -92.39 -28.48 16.86 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.579 -0.701 . . . . 0.0 110.206 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -71.98 -29.32 64.12 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.538 -0.726 . . . . 0.0 110.161 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -78.47 -27.98 46.41 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.641 -0.662 . . . . 0.0 110.245 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 96.1 mtp -77.94 -28.61 49.64 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.551 -0.718 . . . . 0.0 110.229 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.38 -29.09 37.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.508 -0.745 . . . . 0.0 110.211 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -77.26 -29.18 53.81 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.562 -0.711 . . . . 0.0 110.206 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -63.58 -36.02 82.41 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.626 -0.671 . . . . 0.0 110.129 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -82.23 -36.37 27.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.61 -0.681 . . . . 0.0 110.158 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.74 -29.96 70.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.587 -0.696 . . . . 0.0 110.174 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.53 -30.01 19.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.571 -0.705 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -77.65 -29.12 51.49 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.504 -0.747 . . . . 0.0 110.228 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -62.19 -26.79 68.55 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.473 -0.767 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -44.35 94.36 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.503 -0.748 . . . . 0.0 110.351 -179.82 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -110.21 33.25 4.57 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.578 -0.701 . . . . 0.0 110.31 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -90.23 -55.19 3.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.565 -0.709 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 73.2 mtp -105.34 -29.04 10.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.565 -0.71 . . . . 0.0 110.291 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -80.29 112.47 17.65 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.568 -0.707 . . . . 0.0 110.209 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.241 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.138 0.494 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.19 -159.46 0.72 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.53 -0.731 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.7 t -161.86 177.86 9.46 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.579 -0.701 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.1 p -77.31 -28.87 53.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.64 -0.662 . . . . 0.0 110.132 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.63 -29.99 70.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.627 -0.67 . . . . 0.0 110.113 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.87 -38.16 46.58 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.59 -0.693 . . . . 0.0 110.021 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.51 -28.46 67.85 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.606 -0.684 . . . . 0.0 110.116 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.94 -53.33 58.57 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.559 -0.713 . . . . 0.0 110.057 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.7 -29.54 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.607 -0.683 . . . . 0.0 109.765 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.42 -35.3 68.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.558 -0.713 . . . . 0.0 109.952 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 m -85.23 -32.28 22.71 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.613 -0.679 . . . . 0.0 110.082 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.9 m -75.01 -30.49 61.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.604 -0.685 . . . . 0.0 109.992 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -35.69 63.58 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.621 -0.674 . . . . 0.0 109.985 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.92 -27.19 68.0 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.569 -0.707 . . . . 0.0 110.163 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -95.18 24.2 5.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.52 -0.738 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -105.04 -43.73 4.97 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.42 -0.8 . . . . 0.0 110.106 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -58.54 -25.14 62.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -59.1 -27.08 65.24 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.478 -0.764 . . . . 0.0 110.445 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -138.23 23.71 2.76 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.57 -0.706 . . . . 0.0 110.68 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.61 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 38.3 m80 -146.15 68.61 12.63 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.432 -0.792 . . . . 0.0 109.984 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.77 -44.93 0.57 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.295 1.155 . . . . 0.0 110.401 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -107.38 65.29 0.65 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.637 -0.665 . . . . 0.0 110.217 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 m -148.58 130.69 15.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.601 -0.687 . . . . 0.0 110.241 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.0 p -89.41 102.52 15.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.505 -0.747 . . . . 0.0 110.094 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.6 p -106.21 74.81 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.582 -0.699 . . . . 0.0 110.338 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -58.92 -176.06 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.508 -0.745 . . . . 0.0 109.925 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -72.92 -45.3 58.92 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.434 -0.791 . . . . 0.0 110.188 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.13 -40.91 71.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.281 -0.887 . . . . 0.0 110.585 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.82 -16.69 59.33 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.04 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -113.71 -45.95 3.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.33 -0.856 . . . . 0.0 110.799 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.4 p -56.15 -23.84 37.3 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.498 -0.751 . . . . 0.0 110.196 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -72.46 -34.77 67.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.555 -0.715 . . . . 0.0 109.626 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -82.77 -41.81 18.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.653 -0.654 . . . . 0.0 110.061 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 44.0 m -61.68 -29.48 70.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.513 -0.742 . . . . 0.0 109.959 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.2 p -67.77 -32.82 73.67 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.516 -0.74 . . . . 0.0 109.805 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.49 -32.3 73.03 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.613 -0.679 . . . . 0.0 109.858 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -43.27 12.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.574 -0.704 . . . . 0.0 109.762 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -61.61 -36.79 81.74 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.633 -0.667 . . . . 0.0 109.857 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -71.72 -28.67 63.84 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.617 -0.677 . . . . 0.0 110.145 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.4 p -93.98 -20.09 20.3 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.554 -0.716 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.3 mmm -56.16 155.05 7.03 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.351 -0.843 . . . . 0.0 110.494 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.3 p -103.75 -178.5 3.68 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.665 -0.647 . . . . 0.0 110.299 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.92 -22.13 63.22 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.53 -0.731 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -68.23 -30.52 69.6 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.376 -0.827 . . . . 0.0 109.798 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -100.17 -43.65 6.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.644 -0.66 . . . . 0.0 109.934 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -62.4 -23.05 66.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.667 -0.646 . . . . 0.0 110.313 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.4 p -60.16 -30.05 69.07 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.432 -0.792 . . . . 0.0 110.4 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -66.76 -28.96 68.82 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.493 -0.754 . . . . 0.0 110.245 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -92.84 -28.58 16.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.71 . . . . 0.0 110.305 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.05 -28.59 62.41 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.523 -0.736 . . . . 0.0 110.257 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.49 -28.34 46.38 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.593 -0.692 . . . . 0.0 110.253 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.2 mmt -82.19 -28.36 32.07 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.58 -0.7 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.37 -41.76 46.93 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.617 -0.677 . . . . 0.0 110.18 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -68.47 -28.55 67.14 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.608 -0.682 . . . . 0.0 110.207 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.6 t -61.01 -38.75 87.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.549 -0.719 . . . . 0.0 110.125 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -90.59 -29.1 18.02 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.587 -0.695 . . . . 0.0 110.162 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -63.6 -34.2 77.29 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.528 -0.732 . . . . 0.0 110.17 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.54 -28.65 41.28 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.578 -0.701 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.26 -28.45 69.72 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.558 -0.714 . . . . 0.0 110.225 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.0 t80 . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.505 -0.747 . . . . 0.0 110.188 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? . . . . . 0 N--CA 1.501 2.119 0 CA-C-O 121.056 0.455 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.8 mtp -129.36 -169.58 2.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.602 -0.686 . . . . 0.0 110.254 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t -155.25 168.3 27.5 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.571 -0.705 . . . . 0.0 110.164 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.1 p -70.27 -28.27 65.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.599 -0.688 . . . . 0.0 110.183 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.26 -28.98 62.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.698 . . . . 0.0 110.194 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.6 -38.67 39.42 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.552 -0.718 . . . . 0.0 110.12 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.08 -29.42 66.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.549 -0.719 . . . . 0.0 110.005 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.81 -57.63 11.11 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.59 -0.694 . . . . 0.0 110.049 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.3 t -66.51 -30.05 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.618 -0.677 . . . . 0.0 109.847 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.35 -32.24 71.18 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.555 -0.716 . . . . 0.0 110.143 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.4 m -93.93 -28.73 15.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.668 -0.645 . . . . 0.0 110.155 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.6 m -79.76 -27.4 40.47 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.56 -0.713 . . . . 0.0 110.396 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -40.83 72.63 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.529 -0.732 . . . . 0.0 110.012 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.93 -42.43 81.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.616 -0.678 . . . . 0.0 110.002 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.47 -23.49 64.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.636 -0.665 . . . . 0.0 110.372 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -77.79 -47.42 18.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.502 -0.749 . . . . 0.0 110.218 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -62.38 -28.9 70.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.549 -0.719 . . . . 0.0 110.28 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -61.17 -20.95 63.33 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.588 -0.695 . . . . 0.0 110.779 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.609 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 2.7 ptmt -133.6 21.24 3.93 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.349 -0.844 . . . . 0.0 110.823 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.609 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 37.0 m80 -145.63 64.53 10.52 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.449 -0.782 . . . . 0.0 110.143 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -73.7 -29.89 10.17 Favored 'Trans proline' 0 C--N 1.317 -1.084 0 O-C-N 123.275 1.145 . . . . 0.0 110.427 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -83.54 -28.33 28.68 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.569 -0.707 . . . . 0.0 110.377 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -93.64 -169.74 2.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.489 -0.757 . . . . 0.0 110.291 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -143.44 -177.92 5.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.644 -0.66 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.8 p -167.77 103.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.604 -0.685 . . . . 0.0 110.567 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -81.25 -164.93 0.83 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.448 -0.783 . . . . 0.0 109.389 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -84.36 -51.51 6.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.319 -0.863 . . . . 0.0 109.975 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.87 75.52 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.325 -0.86 . . . . 0.0 110.729 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.74 -16.71 58.85 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.17 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -114.48 -45.29 3.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.882 . . . . 0.0 110.809 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -56.06 -23.4 33.32 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.467 -0.771 . . . . 0.0 110.079 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -74.35 -30.66 62.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.538 -0.726 . . . . 0.0 109.623 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -89.55 -32.86 16.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.668 -0.645 . . . . 0.0 110.124 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.2 m -61.33 -29.39 69.86 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.476 -0.765 . . . . 0.0 110.007 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.0 p -65.54 -34.79 79.08 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.564 -0.71 . . . . 0.0 109.865 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -63.41 -29.26 70.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.633 -0.667 . . . . 0.0 109.955 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -94.58 -32.75 13.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.518 -0.738 . . . . 0.0 110.086 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -67.75 -41.46 83.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.629 -0.67 . . . . 0.0 110.169 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -76.5 -26.49 55.33 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.492 -0.755 . . . . 0.0 110.544 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.1 p -91.46 -22.58 20.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.487 -0.758 . . . . 0.0 110.629 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.6 mtp -58.07 168.42 1.01 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.334 -0.854 . . . . 0.0 110.403 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.0 m -106.94 -176.77 3.17 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.575 -0.703 . . . . 0.0 110.355 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.28 61.95 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.691 -0.631 . . . . 0.0 110.678 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.79 -30.45 69.89 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.357 -0.839 . . . . 0.0 109.793 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.59 -42.07 7.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.763 -0.586 . . . . 0.0 109.808 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -65.4 -21.37 66.66 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.703 -0.623 . . . . 0.0 110.48 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 p -69.54 -30.93 68.86 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.325 -0.859 . . . . 0.0 110.342 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -67.57 -28.86 68.13 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.495 -0.753 . . . . 0.0 110.21 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -89.96 -28.45 19.13 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.657 -0.652 . . . . 0.0 110.378 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -75.02 -28.29 60.42 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.574 -0.704 . . . . 0.0 110.323 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.34 -28.04 52.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.551 -0.718 . . . . 0.0 110.336 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.6 mmt -76.23 -29.69 57.65 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.706 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.65 -35.21 27.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.626 -0.671 . . . . 0.0 110.195 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -69.62 -28.88 66.29 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.595 -0.691 . . . . 0.0 110.213 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 t -62.5 -43.55 98.54 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.581 -0.699 . . . . 0.0 110.09 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.44 -29.26 41.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.626 -0.671 . . . . 0.0 110.217 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -62.31 -28.17 69.55 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.598 -0.689 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.87 -28.48 32.95 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.593 -0.692 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -68.84 -28.76 67.02 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.479 -0.763 . . . . 0.0 110.219 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.0 t80 . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.576 -0.703 . . . . 0.0 110.174 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 121.055 0.455 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.13 -168.98 2.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.536 -0.727 . . . . 0.0 110.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -150.79 168.73 23.54 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.633 -0.667 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.6 p -70.07 -28.18 65.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.571 -0.706 . . . . 0.0 110.226 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.31 -29.17 64.71 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.525 -0.735 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.9 -37.67 39.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.578 -0.701 . . . . 0.0 110.135 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.96 -28.61 63.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.568 -0.707 . . . . 0.0 110.094 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 49' ' ' TRP . 49.8 t80 -61.6 -52.13 65.67 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.593 -0.692 . . . . 0.0 110.179 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.9 t -64.04 -28.38 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.575 -0.703 . . . . 0.0 110.01 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -74.28 -51.61 14.77 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.544 -0.723 . . . . 0.0 110.2 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -62.51 -28.6 69.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.499 -0.751 . . . . 0.0 110.144 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 m -80.6 -28.86 36.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.543 -0.723 . . . . 0.0 110.17 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -49.94 72.71 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.586 -0.696 . . . . 0.0 110.1 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.37 -38.61 87.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.613 -0.679 . . . . 0.0 110.064 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -70.85 -14.42 62.39 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.633 -0.667 . . . . 0.0 110.782 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -94.18 24.0 4.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.337 -0.852 . . . . 0.0 110.519 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -118.2 -36.11 3.66 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.29 -0.882 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -69.55 -37.06 76.89 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.629 -0.669 . . . . 0.0 110.23 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 24.9 pttt -96.22 14.62 23.49 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.561 -0.712 . . . . 0.0 111.003 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.436 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 55.2 m-70 -144.48 89.15 6.95 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.257 -0.902 . . . . 0.0 109.946 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.51 -32.02 10.36 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 O-C-N 123.375 1.197 . . . . 0.0 110.679 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -144.82 83.66 1.71 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.523 -0.735 . . . . 0.0 110.305 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t -154.2 130.64 10.56 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.571 -0.705 . . . . 0.0 110.129 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -76.88 151.58 35.75 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.548 -0.72 . . . . 0.0 109.965 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -162.95 71.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.616 -0.677 . . . . 0.0 110.42 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -59.49 -168.5 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -78.53 -40.74 34.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.418 -0.801 . . . . 0.0 110.137 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.45 -45.93 57.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.262 -0.899 . . . . 0.0 110.506 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -60.98 -17.84 54.05 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.911 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -107.79 -48.26 3.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.318 -0.864 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.6 p -53.45 -24.72 13.61 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.41 -0.806 . . . . 0.0 110.333 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -30.78 69.64 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.518 -0.739 . . . . 0.0 109.448 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.19 -44.19 11.66 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.662 -0.649 . . . . 0.0 110.184 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.76 -28.62 68.86 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.549 -0.719 . . . . 0.0 110.04 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.3 p -70.31 -36.13 74.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.549 -0.719 . . . . 0.0 109.757 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.13 -34.49 73.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.575 -0.703 . . . . 0.0 109.716 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -81.39 -46.29 14.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.739 -0.6 . . . . 0.0 109.932 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.418 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 74.8 t-105 -61.39 -31.0 70.9 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.628 -0.67 . . . . 0.0 109.919 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -77.74 -28.39 50.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.602 -0.686 . . . . 0.0 110.134 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.7 p -96.91 -15.71 21.04 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.611 -0.68 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.1 mmm -56.02 160.49 2.78 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.225 -0.922 . . . . 0.0 110.604 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t -110.33 -178.28 3.46 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.538 -0.727 . . . . 0.0 110.345 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.3 -18.57 63.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.721 -0.612 . . . . 0.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -70.68 -29.74 66.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.306 -0.872 . . . . 0.0 109.955 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -102.62 -43.3 5.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.63 -0.669 . . . . 0.0 110.025 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 10.7 mtmm -62.17 -23.34 66.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.666 -0.646 . . . . 0.0 110.402 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 p -59.68 -28.7 67.51 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.343 -0.848 . . . . 0.0 110.376 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -77.29 -29.02 53.58 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.525 -0.735 . . . . 0.0 110.183 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -89.19 -28.17 20.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.508 -0.745 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -75.23 -28.51 59.95 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.532 -0.73 . . . . 0.0 110.257 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.03 -28.25 61.34 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.533 -0.729 . . . . 0.0 110.229 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 48.4 mmm -80.7 -28.36 36.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.564 -0.71 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.67 34.48 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.534 -0.729 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -78.45 -28.75 46.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.522 -0.736 . . . . 0.0 110.248 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.4 t -64.01 -46.58 83.88 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.589 -0.695 . . . . 0.0 110.224 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -72.9 -29.1 62.88 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -66.56 -32.86 74.48 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.568 -0.707 . . . . 0.0 110.196 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -96.13 -32.09 12.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.636 -0.665 . . . . 0.0 110.233 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -70.09 -24.21 63.18 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.561 -0.712 . . . . 0.0 110.443 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.9 t80 . . . . . 0 N--CA 1.498 1.968 0 O-C-N 121.419 -0.801 . . . . 0.0 110.46 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.173 0.511 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.4 tpp -149.33 119.36 7.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.538 -0.726 . . . . 0.0 110.188 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.424 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.2 t -83.79 -179.27 7.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.622 -0.674 . . . . 0.0 110.17 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 p -74.16 -28.67 61.42 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.549 -0.719 . . . . 0.0 110.078 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -66.41 -29.33 69.46 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.535 -0.728 . . . . 0.0 110.162 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.4 69.38 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.665 -0.647 . . . . 0.0 110.051 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -78.6 -29.24 45.94 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.566 -0.709 . . . . 0.0 110.151 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -63.54 -52.4 61.29 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.574 -0.704 . . . . 0.0 110.104 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.47 -28.69 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.596 -0.69 . . . . 0.0 109.847 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -72.53 -38.21 68.11 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.544 -0.722 . . . . 0.0 110.104 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.1 m -83.48 -29.14 28.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.662 -0.649 . . . . 0.0 110.153 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 m -78.28 -28.64 47.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.579 -0.7 . . . . 0.0 110.218 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -73.91 -38.91 64.18 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.6 -0.687 . . . . 0.0 110.079 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.71 -52.02 66.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.526 -0.734 . . . . 0.0 110.013 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.53 -26.21 66.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.563 -0.711 . . . . 0.0 110.152 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -78.71 -35.64 44.62 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.545 -0.722 . . . . 0.0 109.903 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -77.25 63.63 2.51 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.608 -0.683 . . . . 0.0 109.883 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -168.25 -41.24 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.674 -0.641 . . . . 0.0 109.96 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 5.6 ptpt -107.84 23.58 14.25 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.613 -0.68 . . . . 0.0 110.586 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 74.4 m-70 -145.09 77.0 13.28 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.492 -0.755 . . . . 0.0 110.075 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.0 -50.36 0.2 Allowed 'Trans proline' 0 C--N 1.318 -1.038 0 O-C-N 123.296 1.156 . . . . 0.0 110.537 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.39 58.71 3.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.591 -0.693 . . . . 0.0 110.244 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -166.18 130.18 2.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 0.0 110.225 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.2 m -89.17 177.63 6.57 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.564 -0.71 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.7 p -167.52 69.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.497 -0.752 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -60.41 -173.14 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.539 -0.726 . . . . 0.0 109.657 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -73.08 -42.69 62.76 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.89 67.25 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.298 -0.876 . . . . 0.0 110.581 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -62.58 -16.68 57.61 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.05 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -112.74 -44.69 3.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.929 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.6 p -57.41 -23.04 46.96 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.456 -0.778 . . . . 0.0 110.172 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -78.75 -30.67 45.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.541 -0.724 . . . . 0.0 109.781 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -85.15 -46.29 11.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.62 -0.675 . . . . 0.0 110.159 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.28 -28.51 69.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.55 -0.719 . . . . 0.0 110.085 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.1 p -68.42 -32.78 73.06 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.565 -0.709 . . . . 0.0 110.029 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -65.09 -35.16 80.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.59 -0.694 . . . . 0.0 109.951 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -88.03 -39.62 14.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.625 -0.672 . . . . 0.0 110.051 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.407 ' CH2' ' HB2' ' A' ' 57' ' ' LYS . 69.5 t-105 -60.51 -49.23 78.39 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.574 -0.704 . . . . 0.0 110.193 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -64.29 -26.19 68.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.59 -0.694 . . . . 0.0 110.487 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -93.36 -22.18 19.1 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.474 -0.766 . . . . 0.0 110.703 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.19 135.97 57.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.412 -0.805 . . . . 0.0 110.426 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.2 m -77.93 154.68 31.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.552 -0.717 . . . . 0.0 110.223 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 57' ' ' LYS . . . -49.8 -28.43 6.33 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.49 -0.756 . . . . 0.0 111.148 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -72.27 -25.66 61.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.512 -0.743 . . . . 0.0 110.098 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -91.29 -33.35 15.37 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.476 -0.765 . . . . 0.0 110.347 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 14.6 ptpt -95.9 26.92 3.81 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.451 -0.781 . . . . 0.0 110.503 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.7 p -82.54 -29.64 30.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.436 -0.79 . . . . 0.0 110.233 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -70.94 -29.62 65.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.595 -0.691 . . . . 0.0 110.122 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -86.76 -29.19 22.54 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.624 -0.673 . . . . 0.0 110.18 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.06 -29.66 55.24 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.62 -0.675 . . . . 0.0 110.134 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.99 -29.13 58.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.607 -0.683 . . . . 0.0 110.029 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.8 mmt -81.21 -29.17 34.61 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 110.124 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -79.67 -30.1 41.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.506 -0.746 . . . . 0.0 110.127 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -29.76 65.17 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.65 -0.657 . . . . 0.0 110.052 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -71.95 -30.97 65.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.541 -0.725 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -87.28 -29.59 21.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.603 -0.685 . . . . 0.0 110.105 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.72 -30.4 68.01 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.598 -0.689 . . . . 0.0 110.129 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.42 -28.07 21.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.574 -0.704 . . . . 0.0 110.353 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -60.86 -29.22 69.4 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.581 -0.699 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.8 t80 . . . . . 0 N--CA 1.496 1.838 0 O-C-N 121.515 -0.741 . . . . 0.0 110.09 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.075 0.464 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.95 -168.47 1.55 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.568 -0.708 . . . . 0.0 110.234 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.492 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 5.9 t -161.95 175.43 11.84 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.548 -0.72 . . . . 0.0 110.224 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.9 p -65.38 -28.94 69.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.601 -0.687 . . . . 0.0 110.231 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -77.86 -28.97 50.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.557 -0.714 . . . . 0.0 110.191 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.97 -29.34 39.54 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.581 -0.699 . . . . 0.0 110.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -80.85 -29.08 35.89 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.602 -0.686 . . . . 0.0 110.122 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.65 -48.44 77.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.655 -0.653 . . . . 0.0 110.133 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -71.96 -30.11 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.609 -0.682 . . . . 0.0 109.843 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -71.52 -33.19 68.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.585 -0.697 . . . . 0.0 110.052 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.8 m -87.3 -29.53 21.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.635 -0.666 . . . . 0.0 110.058 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -80.21 -32.05 38.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.602 -0.686 . . . . 0.0 110.129 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -69.84 -39.84 76.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.647 -0.658 . . . . 0.0 110.008 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.1 -54.63 38.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.649 -0.657 . . . . 0.0 110.016 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -61.08 -27.84 68.65 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.619 -0.675 . . . . 0.0 110.104 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -73.7 -24.83 59.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.576 -0.703 . . . . 0.0 110.329 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -91.65 18.68 7.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.444 -0.785 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -111.22 -20.31 12.37 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.343 -0.848 . . . . 0.0 110.427 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -134.84 25.81 3.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.417 -0.802 . . . . 0.0 110.634 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 86.1 m-70 -146.27 62.61 8.17 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 110.06 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.67 -28.78 13.65 Favored 'Trans proline' 0 C--N 1.317 -1.08 0 O-C-N 123.281 1.148 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -107.89 41.26 1.56 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.61 -0.681 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -137.73 135.07 36.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.557 -0.714 . . . . 0.0 110.2 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 m -89.75 140.22 29.8 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.584 -0.698 . . . . 0.0 110.212 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.6 p -144.55 69.23 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.619 -0.676 . . . . 0.0 110.237 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.21 177.1 0.14 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.459 -0.776 . . . . 0.0 109.793 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -64.75 -46.9 80.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.359 -0.838 . . . . 0.0 110.379 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.54 81.84 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.159 -0.963 . . . . 0.0 110.871 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.61 -12.6 60.79 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.586 -0.846 . . . . 0.0 110.273 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -117.81 -42.97 2.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.315 -0.866 . . . . 0.0 110.448 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.6 p -57.2 -22.16 38.75 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.637 -0.665 . . . . 0.0 109.941 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -83.65 -25.87 30.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.503 -0.748 . . . . 0.0 110.33 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -84.35 -42.64 15.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.435 -0.791 . . . . 0.0 110.912 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.1 p -57.95 -30.86 66.32 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.364 -0.835 . . . . 0.0 110.49 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 p -67.94 -39.05 83.53 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.585 -0.697 . . . . 0.0 110.045 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.82 -35.67 80.68 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.632 -0.668 . . . . 0.0 109.932 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -85.91 -37.56 18.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.675 -0.64 . . . . 0.0 110.008 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -67.12 -34.05 76.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.58 -0.7 . . . . 0.0 109.955 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -76.42 -29.54 57.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.571 -0.706 . . . . 0.0 110.075 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.5 p -84.79 -23.77 29.02 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.594 -0.691 . . . . 0.0 110.483 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.5 mmm -57.57 155.44 9.68 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.41 -0.806 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -100.91 -179.54 4.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.601 -0.687 . . . . 0.0 110.353 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.91 -22.59 63.2 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.598 -0.689 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -68.85 -30.44 68.97 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.43 -0.794 . . . . 0.0 109.795 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -98.26 -43.58 6.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.652 -0.655 . . . . 0.0 109.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -61.12 -23.6 65.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.675 -0.641 . . . . 0.0 110.24 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.8 p -67.15 -31.48 71.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.461 -0.774 . . . . 0.0 110.266 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -66.94 -29.44 69.31 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.596 -0.69 . . . . 0.0 110.154 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -93.57 -28.72 15.88 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.569 -0.707 . . . . 0.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.07 -28.62 43.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.591 -0.693 . . . . 0.0 110.204 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -76.3 -28.37 56.96 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.48 -0.762 . . . . 0.0 110.226 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.4 mmt -78.26 -28.74 47.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.542 -0.724 . . . . 0.0 110.247 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -79.75 -30.69 40.85 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.621 -0.674 . . . . 0.0 110.272 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -74.39 -28.77 61.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.592 -0.693 . . . . 0.0 110.125 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t -61.62 -52.14 65.6 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.627 -0.671 . . . . 0.0 110.151 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -70.61 -28.81 65.13 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.615 -0.678 . . . . 0.0 110.221 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -61.34 -28.7 69.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.59 -0.694 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.04 -28.79 65.76 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.582 -0.699 . . . . 0.0 110.29 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -67.13 -28.57 68.25 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.561 -0.712 . . . . 0.0 110.177 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.4 t80 . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.542 -0.724 . . . . 0.0 110.163 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.2 mttt . . . . . 0 N--CA 1.501 2.081 0 CA-C-O 121.093 0.473 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 mtt -133.39 -168.06 2.03 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.543 -0.723 . . . . 0.0 110.172 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.427 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 11.8 t -153.08 178.63 9.51 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.572 -0.705 . . . . 0.0 110.207 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.8 p -68.75 -28.89 67.21 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.616 -0.677 . . . . 0.0 110.216 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.21 -29.08 63.63 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.615 -0.678 . . . . 0.0 110.109 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -33.92 52.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.557 -0.714 . . . . 0.0 110.026 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -80.11 -29.61 38.98 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.645 -0.659 . . . . 0.0 110.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -63.73 -54.68 31.67 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.658 -0.651 . . . . 0.0 109.999 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.6 t -63.73 -34.8 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.536 -0.727 . . . . 0.0 109.678 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.76 -49.14 71.91 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.61 -0.681 . . . . 0.0 110.073 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 m -69.2 -28.97 66.85 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.602 -0.686 . . . . 0.0 110.088 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 m -81.85 -28.02 33.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.594 -0.691 . . . . 0.0 110.219 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -39.75 65.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.556 -0.715 . . . . 0.0 109.972 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.16 -49.77 74.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.571 -0.705 . . . . 0.0 109.924 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -61.33 -27.69 68.67 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.61 -0.681 . . . . 0.0 110.071 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -77.67 -7.31 56.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.522 -0.736 . . . . 0.0 110.937 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -94.6 23.85 5.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.152 -0.967 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -123.67 -44.09 2.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 109.766 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.592 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -95.93 22.42 7.44 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.762 -0.586 . . . . 0.0 110.628 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.592 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 38.2 m80 -145.81 89.67 6.09 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 110.14 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.97 -50.79 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.088 0 O-C-N 123.4 1.211 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -124.66 53.03 1.49 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.583 -0.698 . . . . 0.0 110.145 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.94 -19.47 10.38 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.549 -0.719 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m 56.17 172.47 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.228 -0.92 . . . . 0.0 110.376 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.1 p -168.32 79.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.492 -0.755 . . . . 0.0 110.56 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -59.86 172.9 0.66 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.349 -0.844 . . . . 0.0 109.715 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -67.55 -47.12 70.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.377 -0.827 . . . . 0.0 110.411 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.543 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -70.21 -39.14 75.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.336 -0.852 . . . . 0.0 110.674 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -64.36 -15.53 60.57 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.656 -0.817 . . . . 0.0 110.152 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -115.81 -46.24 2.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.882 . . . . 0.0 110.639 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.543 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 78.1 p -55.39 -23.79 26.43 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.603 -0.686 . . . . 0.0 110.119 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -70.86 -29.75 65.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.594 -0.692 . . . . 0.0 109.663 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -88.93 -44.96 10.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.1 m -60.96 -28.98 69.37 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.59 -0.694 . . . . 0.0 110.068 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.8 p -73.47 -36.42 65.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.632 -0.668 . . . . 0.0 109.8 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.07 -30.96 69.4 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.633 -0.667 . . . . 0.0 109.75 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -88.63 -38.59 14.71 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.628 -0.67 . . . . 0.0 109.88 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -62.78 -54.19 42.78 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.647 -0.658 . . . . 0.0 109.791 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -60.26 -25.95 66.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.675 -0.641 . . . . 0.0 110.523 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.4 p -95.72 -15.69 22.46 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.533 -0.73 . . . . 0.0 111.01 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 167.03 1.06 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.218 -0.926 . . . . 0.0 110.578 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.2 m -95.36 172.74 7.91 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.544 -0.722 . . . . 0.0 110.38 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.08 -24.48 64.15 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.619 -0.676 . . . . 0.0 110.518 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -68.67 -30.55 69.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.413 -0.805 . . . . 0.0 109.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -96.16 -38.54 10.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.625 -0.672 . . . . 0.0 109.897 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -69.84 -19.06 63.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.696 -0.628 . . . . 0.0 110.53 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 p -79.0 -30.06 44.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.379 -0.826 . . . . 0.0 110.39 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -62.88 -29.2 70.58 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.479 -0.763 . . . . 0.0 110.199 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -94.19 -29.02 15.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.589 -0.694 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -72.95 -29.31 62.99 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.537 -0.727 . . . . 0.0 110.19 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -79.71 -28.31 40.6 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.567 -0.708 . . . . 0.0 110.221 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.3 mtt -79.26 -28.77 42.4 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.548 -0.72 . . . . 0.0 110.278 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.85 -32.31 46.02 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.522 -0.737 . . . . 0.0 110.107 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -70.37 -29.27 65.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.568 -0.707 . . . . 0.0 110.177 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 t -62.67 -41.48 99.1 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.583 -0.698 . . . . 0.0 110.134 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -82.91 -29.29 29.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.548 -0.72 . . . . 0.0 110.193 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -63.86 -29.17 70.39 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.575 -0.703 . . . . 0.0 110.165 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.25 -29.14 14.66 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.606 -0.684 . . . . 0.0 110.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -70.87 -27.9 64.17 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.55 -0.719 . . . . 0.0 110.203 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 110.679 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.12 0.486 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -106.96 -75.88 0.62 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.539 -0.726 . . . . 0.0 110.204 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -169.55 -175.86 2.28 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.432 -0.793 . . . . 0.0 110.205 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -70.74 -28.3 64.6 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.658 -0.651 . . . . 0.0 110.177 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -75.45 -29.09 59.54 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.507 -0.746 . . . . 0.0 110.155 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.62 -40.22 66.63 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.572 -0.705 . . . . 0.0 109.908 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -70.84 -28.91 64.95 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.673 -0.642 . . . . 0.0 109.987 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.97 -50.85 71.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.605 -0.684 . . . . 0.0 110.186 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.99 -30.6 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.533 -0.729 . . . . 0.0 109.893 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -70.25 -41.42 73.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.533 -0.729 . . . . 0.0 110.122 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.1 m -80.37 -27.79 38.14 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.571 -0.706 . . . . 0.0 110.247 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.4 m -76.23 -26.21 55.84 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.593 -0.692 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -70.69 -44.42 67.01 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.514 -0.741 . . . . 0.0 109.993 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -60.82 -40.85 94.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.546 -0.721 . . . . 0.0 109.842 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -71.67 -18.93 62.15 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.705 -0.622 . . . . 0.0 110.262 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -96.87 30.2 2.77 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.417 -0.802 . . . . 0.0 110.105 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -126.89 -51.28 1.45 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.424 -0.798 . . . . 0.0 110.501 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -61.73 -26.85 68.32 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.599 -0.688 . . . . 0.0 110.495 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' CD ' ' CE1' ' A' ' 31' ' ' HIS . 18.7 ptpt -105.41 -23.51 12.82 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.54 -0.725 . . . . 0.0 110.609 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CE1' ' CD ' ' A' ' 30' ' ' LYS . 33.9 m170 -117.43 69.7 5.97 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 121.422 -0.799 . . . . 0.0 110.305 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.2 -49.69 0.22 Allowed 'Trans proline' 0 C--N 1.317 -1.106 0 O-C-N 123.256 1.134 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.46 59.1 2.89 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.587 -0.696 . . . . 0.0 110.185 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.0 m -150.76 132.47 14.93 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.553 -0.717 . . . . 0.0 110.231 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -80.68 144.36 32.32 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.571 -0.706 . . . . 0.0 110.109 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.1 p -156.04 69.22 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.581 -0.699 . . . . 0.0 110.225 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.18 -178.26 0.08 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.481 -0.762 . . . . 0.0 109.767 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -72.06 -41.06 67.85 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.386 -0.821 . . . . 0.0 110.202 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.47 -43.48 63.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.272 -0.892 . . . . 0.0 110.506 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.42 -16.65 56.22 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.921 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -110.94 -45.49 3.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.284 -0.885 . . . . 0.0 111.008 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.4 p -56.5 -24.21 44.75 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.445 -0.785 . . . . 0.0 110.173 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -80.6 -29.71 36.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.573 -0.705 . . . . 0.0 109.78 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.73 -40.33 15.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.561 -0.712 . . . . 0.0 110.224 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.6 m -60.63 -29.68 69.4 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.602 -0.686 . . . . 0.0 109.989 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -34.79 66.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.513 -0.742 . . . . 0.0 109.859 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.19 -28.26 69.55 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.572 -0.705 . . . . 0.0 109.899 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -95.66 -40.84 9.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.665 -0.647 . . . . 0.0 109.827 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -60.16 -41.63 93.23 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.651 -0.656 . . . . 0.0 109.759 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -66.42 -16.9 64.45 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.613 -0.679 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -118.76 -1.15 11.13 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.283 -0.886 . . . . 0.0 111.182 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmm -59.2 164.93 2.85 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.152 -0.967 . . . . 0.0 110.235 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -89.78 166.39 13.58 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.492 -0.755 . . . . 0.0 110.334 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.83 -23.47 66.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.597 -0.69 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -73.63 -30.43 62.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.426 -0.796 . . . . 0.0 109.863 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -94.7 -34.25 12.62 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.722 -0.611 . . . . 0.0 109.938 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -73.69 -25.05 60.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.637 -0.665 . . . . 0.0 110.254 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -69.42 -31.16 69.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.516 -0.74 . . . . 0.0 110.22 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -64.45 -32.05 73.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.611 -0.68 . . . . 0.0 110.114 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -90.86 -29.13 17.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.543 -0.723 . . . . 0.0 110.174 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.74 -29.83 29.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.635 -0.665 . . . . 0.0 110.179 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.01 -29.04 29.21 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.587 -0.696 . . . . 0.0 110.123 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.7 mtt -77.93 -29.29 49.89 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.569 -0.707 . . . . 0.0 110.131 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.59 -33.83 41.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.575 -0.703 . . . . 0.0 110.169 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -81.05 -30.27 34.86 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.579 -0.701 . . . . 0.0 110.156 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 t -66.94 -33.13 74.91 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.623 -0.673 . . . . 0.0 110.028 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.03 -29.06 23.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.586 -0.696 . . . . 0.0 110.118 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.46 -34.34 74.23 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.625 -0.672 . . . . 0.0 110.153 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.05 -29.51 60.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.559 -0.713 . . . . 0.0 110.066 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -71.82 -27.83 63.17 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.635 -0.666 . . . . 0.0 110.156 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.4 t80 . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.569 -0.707 . . . . 0.0 110.275 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt . . . . . 0 N--CA 1.501 2.104 0 CA-C-O 121.078 0.466 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.442 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 29.7 mtt -138.79 -41.15 0.49 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.558 -0.714 . . . . 0.0 110.812 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.597 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 1.3 t 62.48 162.01 0.09 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.182 -0.949 . . . . 0.0 110.115 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 77.8 p -58.78 -30.56 67.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.624 -0.673 . . . . 0.0 110.887 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -60.74 -25.9 66.8 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.458 -0.776 . . . . 0.0 110.616 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -81.37 -34.93 31.42 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.476 -0.765 . . . . 0.0 110.408 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -76.29 -25.83 55.27 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.527 -0.733 . . . . 0.0 110.491 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -69.04 -49.86 53.8 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.35 -0.844 . . . . 0.0 110.312 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t -72.42 -31.35 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.559 -0.713 . . . . 0.0 110.003 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -71.49 -29.18 64.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.538 -0.726 . . . . 0.0 110.182 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.3 m -97.57 -27.55 14.35 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.556 -0.715 . . . . 0.0 110.289 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -76.4 -28.55 56.75 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.633 -0.667 . . . . 0.0 110.234 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -76.54 -35.5 58.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.597 -0.69 . . . . 0.0 110.147 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.71 -50.05 66.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.664 -0.648 . . . . 0.0 110.071 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -63.08 -24.16 67.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.611 -0.681 . . . . 0.0 110.423 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -68.81 -46.87 67.53 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.414 -0.804 . . . . 0.0 110.226 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -62.1 -28.05 69.35 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.572 -0.705 . . . . 0.0 110.432 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -60.71 -26.6 67.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.52 -0.738 . . . . 0.0 110.486 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -128.33 19.6 6.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.504 -0.748 . . . . 0.0 110.871 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.595 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 37.7 m80 -144.87 63.28 10.16 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.442 -0.786 . . . . 0.0 110.184 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.02 -41.28 1.4 Allowed 'Trans proline' 0 C--N 1.318 -1.057 0 O-C-N 123.272 1.143 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.81 55.55 1.38 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.618 -0.676 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 m -152.13 -158.4 0.9 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.56 -0.712 . . . . 0.0 110.144 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -151.72 160.65 43.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.571 -0.706 . . . . 0.0 110.168 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.0 p -156.23 70.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.605 -0.684 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -58.84 172.64 0.51 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.547 -0.721 . . . . 0.0 109.731 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' SER . 83.6 m-85 -62.67 -64.71 0.84 Allowed 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.32 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.66 -49.17 68.53 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.495 -0.753 . . . . 0.0 111.892 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -54.18 -23.68 15.33 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.189 -0.944 . . . . 0.0 110.277 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -105.75 -26.98 11.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.546 -0.721 . . . . 0.0 110.17 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' PHE . 4.8 p -64.24 -26.7 68.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.664 -0.647 . . . . 0.0 109.443 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -84.81 -25.47 28.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.745 -0.597 . . . . 0.0 110.349 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -84.73 -41.94 15.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.512 -0.743 . . . . 0.0 110.754 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.3 p -58.9 -31.3 68.49 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.444 -0.785 . . . . 0.0 110.45 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.9 p -67.58 -34.26 76.67 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.593 -0.692 . . . . 0.0 110.12 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.6 -28.83 68.81 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.59 -0.694 . . . . 0.0 110.073 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -94.52 -42.18 8.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.591 -0.693 . . . . 0.0 110.251 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.413 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 72.4 t-105 -60.64 -29.86 69.52 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.635 -0.665 . . . . 0.0 110.248 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -80.95 -27.72 35.94 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.536 -0.728 . . . . 0.0 110.371 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.7 p -84.35 -26.59 28.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.528 -0.733 . . . . 0.0 110.464 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.8 mmm -59.36 152.31 21.54 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.376 -0.828 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.5 t -107.36 -173.8 2.38 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.579 -0.7 . . . . 0.0 110.293 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.73 -20.7 65.95 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.592 -0.692 . . . . 0.0 110.701 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -72.84 -27.99 62.26 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.357 -0.84 . . . . 0.0 110.142 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -105.78 -25.36 12.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.622 -0.674 . . . . 0.0 110.483 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HE3' ' CE2' ' A' ' 49' ' ' TRP . 39.1 mtpt -95.71 27.59 3.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.415 -0.803 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 p -105.06 -33.27 8.36 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.47 -0.769 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -70.98 -30.21 66.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.569 -0.707 . . . . 0.0 110.36 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -76.47 -33.16 58.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.58 -0.7 . . . . 0.0 110.186 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.54 -30.41 71.44 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.568 -0.708 . . . . 0.0 110.209 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -71.94 -28.66 63.61 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.576 -0.703 . . . . 0.0 110.18 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.0 mmt -80.97 -33.14 34.04 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.559 -0.713 . . . . 0.0 110.187 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -70.75 -39.52 73.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.688 -0.632 . . . . 0.0 110.155 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -62.95 -26.93 69.05 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.638 -0.664 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.0 t -59.89 -47.26 86.48 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.486 -0.759 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -82.46 -40.44 21.14 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.553 -0.717 . . . . 0.0 110.175 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -62.68 -28.23 69.78 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.679 -0.638 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.07 -30.72 31.17 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.651 -0.655 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -85.13 -28.63 25.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.526 -0.734 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.59 -0.694 . . . . 0.0 110.21 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.107 0.479 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.417 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 22.4 mtt -148.74 115.59 6.02 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.539 -0.726 . . . . 0.0 110.181 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.532 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 11.5 t -78.05 179.79 6.59 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.53 -0.732 . . . . 0.0 110.245 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.1 p -71.81 -28.61 63.7 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.62 -0.675 . . . . 0.0 110.205 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -74.12 -28.83 61.53 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.555 -0.716 . . . . 0.0 110.146 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.99 -45.4 61.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.59 -0.694 . . . . 0.0 110.102 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 30.2 m-85 -62.23 -29.07 70.13 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.541 -0.724 . . . . 0.0 110.101 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.86 -59.81 4.34 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.622 -0.674 . . . . 0.0 110.215 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.81 -29.6 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.592 -0.692 . . . . 0.0 109.88 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -69.46 -33.43 72.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.543 -0.723 . . . . 0.0 110.093 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.3 m -89.24 -29.28 19.35 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.6 -0.688 . . . . 0.0 110.137 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.6 m -79.63 -29.54 41.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.6 -0.688 . . . . 0.0 110.108 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -33.21 43.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.629 -0.669 . . . . 0.0 110.09 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.14 -28.93 68.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.643 -0.66 . . . . 0.0 110.15 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -96.01 24.35 5.62 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.491 -0.756 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -104.49 -45.36 4.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.462 -0.774 . . . . 0.0 110.121 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -61.17 -26.86 68.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.677 -0.639 . . . . 0.0 110.413 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -59.7 -27.06 66.11 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.477 -0.765 . . . . 0.0 110.491 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.592 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -131.4 21.01 4.76 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.469 -0.769 . . . . 0.0 110.818 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.592 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 38.3 m80 -145.33 75.56 13.67 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.393 -0.817 . . . . 0.0 110.123 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.05 -46.27 0.39 Allowed 'Trans proline' 0 C--N 1.318 -1.074 0 O-C-N 123.283 1.149 . . . . 0.0 110.407 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.01 64.54 0.68 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.574 -0.704 . . . . 0.0 110.191 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -153.12 -49.69 0.1 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.453 -0.78 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.441 ' C ' HG13 ' A' ' 36' ' ' VAL . 9.2 m 54.79 174.56 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.42 -0.8 . . . . 0.0 110.753 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 36' ' ' VAL . 34.7 m -147.92 120.61 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.734 -0.604 . . . . 0.0 110.53 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -90.53 51.49 2.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.554 -0.716 . . . . 0.0 109.818 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 56.94 -84.9 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.81 -0.556 . . . . 0.0 110.892 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.63 -23.46 2.61 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.787 -1.196 . . . . 0.0 112.041 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -77.77 -18.1 56.8 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.439 -0.904 . . . . 0.0 109.786 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -120.28 -43.51 2.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.486 -0.759 . . . . 0.0 109.636 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.7 p -56.77 -22.8 38.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.835 -0.541 . . . . 0.0 109.966 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -71.74 -31.11 66.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.575 -0.703 . . . . 0.0 110.0 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.58 -37.67 20.88 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.567 -0.708 . . . . 0.0 110.196 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.4 m -60.93 -32.63 72.13 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.519 -0.738 . . . . 0.0 110.078 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -64.07 -36.73 84.98 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.476 -0.765 . . . . 0.0 109.851 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.79 -28.77 69.79 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.542 -0.724 . . . . 0.0 109.958 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -91.16 -38.81 12.49 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.584 -0.698 . . . . 0.0 110.074 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.417 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 60.4 t-105 -62.44 -53.24 57.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.586 -0.697 . . . . 0.0 110.126 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -62.81 -26.15 68.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.554 -0.716 . . . . 0.0 110.553 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.3 p -92.79 -17.66 23.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.516 -0.74 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.3 mmm -56.1 152.67 10.21 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.31 -0.868 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 t -80.11 163.67 23.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.583 -0.698 . . . . 0.0 110.36 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.67 -26.27 66.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.596 -0.69 . . . . 0.0 110.294 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -69.28 -31.16 69.49 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.482 -0.761 . . . . 0.0 109.729 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -92.63 -38.41 11.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.681 -0.637 . . . . 0.0 109.887 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 19.3 mtmt -67.44 -22.39 65.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.644 -0.66 . . . . 0.0 110.271 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.2 p -70.37 -30.38 67.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.448 -0.783 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -62.28 -29.03 70.14 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.626 -0.671 . . . . 0.0 110.204 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -89.53 -28.76 19.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.636 -0.665 . . . . 0.0 110.194 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -76.78 -28.94 55.85 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.639 -0.663 . . . . 0.0 110.239 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -70.68 -31.63 68.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.571 -0.706 . . . . 0.0 110.084 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -29.08 32.08 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.617 -0.677 . . . . 0.0 110.05 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.95 -29.38 43.94 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.649 -0.657 . . . . 0.0 110.198 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -78.14 -28.84 48.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.595 -0.691 . . . . 0.0 110.156 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.7 t -72.2 -30.98 65.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.662 -0.649 . . . . 0.0 110.114 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -83.07 -29.58 28.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.619 -0.675 . . . . 0.0 110.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -68.29 -30.08 69.0 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.647 -0.658 . . . . 0.0 110.136 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.26 -28.77 23.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.601 -0.687 . . . . 0.0 110.224 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -74.58 -28.65 61.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.524 -0.735 . . . . 0.0 110.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.1 t80 . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.572 -0.705 . . . . 0.0 110.191 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 121.021 0.439 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.6 mtt -134.64 -162.61 1.27 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.54 -0.725 . . . . 0.0 109.803 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -139.94 179.34 6.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.535 -0.728 . . . . 0.0 110.1 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.3 p -59.72 -29.51 68.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.53 -0.732 . . . . 0.0 110.418 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -70.71 -30.47 67.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.595 -0.691 . . . . 0.0 110.2 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.56 -37.8 27.15 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.578 -0.702 . . . . 0.0 110.157 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -65.08 -29.23 70.08 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.656 -0.653 . . . . 0.0 110.143 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 49' ' ' TRP . 32.3 t80 -61.38 -51.49 68.58 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.628 -0.67 . . . . 0.0 110.139 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.73 -29.64 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.579 -0.7 . . . . 0.0 109.907 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -70.03 -36.06 74.79 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.603 -0.686 . . . . 0.0 110.101 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -84.47 -29.43 26.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.567 -0.708 . . . . 0.0 110.055 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.6 m -78.89 -29.66 44.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.618 -0.676 . . . . 0.0 110.174 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -41.26 69.45 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.527 -0.733 . . . . 0.0 109.982 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -63.74 -33.27 75.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.58 -0.7 . . . . 0.0 109.828 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.21 -12.36 59.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.663 -0.648 . . . . 0.0 110.833 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.497 ' CD2' ' CD2' ' A' ' 31' ' ' HIS . 14.3 t60 -90.63 17.29 7.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.267 -0.895 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -111.97 22.76 14.52 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.245 -0.909 . . . . 0.0 110.586 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -114.62 -30.83 6.38 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.374 -0.829 . . . . 0.0 110.152 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 1.5 ptmm? -126.73 31.15 5.37 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.625 -0.672 . . . . 0.0 110.423 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CD2' ' CD2' ' A' ' 27' ' ' HIS . 81.9 m-70 -145.61 80.12 10.9 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.595 -0.691 . . . . 0.0 110.253 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.8 -50.8 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.04 0 O-C-N 123.405 1.213 . . . . 0.0 110.372 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.13 58.53 1.18 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.577 -0.702 . . . . 0.0 110.061 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.5 t -111.03 -22.33 11.53 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.568 -0.707 . . . . 0.0 110.605 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m 54.97 98.0 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.259 -0.901 . . . . 0.0 110.514 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.7 p -107.53 77.63 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.606 -0.684 . . . . 0.0 110.444 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -59.36 -173.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.399 -0.813 . . . . 0.0 109.829 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -76.08 -47.66 23.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.384 -0.822 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.58 74.97 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.312 -0.868 . . . . 0.0 110.679 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.61 -16.93 59.04 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.225 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -115.5 -46.04 2.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.324 -0.86 . . . . 0.0 110.63 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.1 p -56.54 -23.35 39.42 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.524 -0.735 . . . . 0.0 110.203 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -68.09 -29.77 68.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.554 -0.716 . . . . 0.0 109.762 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -92.08 -45.86 8.08 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.567 -0.708 . . . . 0.0 110.177 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 72.6 m -61.38 -29.42 69.91 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.549 -0.719 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.4 p -72.64 -33.51 66.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.565 -0.709 . . . . 0.0 109.796 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -72.68 -31.03 64.73 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.606 -0.684 . . . . 0.0 109.738 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -89.81 -38.78 13.53 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.722 -0.611 . . . . 0.0 109.863 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.43 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 61.6 t-105 -61.36 -48.62 80.47 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.586 -0.696 . . . . 0.0 109.849 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -65.77 -26.4 67.7 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.67 -0.644 . . . . 0.0 110.432 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.1 p -101.04 -0.6 36.1 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.478 -0.764 . . . . 0.0 111.054 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.43 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 2.1 mmm -61.72 163.1 7.69 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.207 -0.933 . . . . 0.0 110.167 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -88.45 166.74 14.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.626 -0.671 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.26 -19.93 65.58 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.633 -0.667 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -74.16 -30.4 62.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.311 -0.868 . . . . 0.0 109.905 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 18.0 mt-10 -95.94 -34.54 11.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.642 -0.661 . . . . 0.0 109.996 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -74.05 -25.15 59.68 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.629 -0.67 . . . . 0.0 110.29 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.3 p -71.47 -29.38 64.77 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.482 -0.761 . . . . 0.0 110.238 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -62.93 -29.01 70.46 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.547 -0.72 . . . . 0.0 110.178 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -94.79 -28.89 15.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.594 -0.691 . . . . 0.0 110.202 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.56 -29.03 65.37 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.534 -0.729 . . . . 0.0 110.184 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.46 -28.14 23.66 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.581 -0.7 . . . . 0.0 110.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.6 mtp -78.03 -28.57 49.06 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.598 -0.688 . . . . 0.0 110.176 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.14 22.97 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.571 -0.705 . . . . 0.0 110.176 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -68.83 -29.66 68.04 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.559 -0.713 . . . . 0.0 110.156 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.5 t -63.94 -36.3 83.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.556 -0.715 . . . . 0.0 110.14 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.1 -28.69 21.14 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.584 -0.698 . . . . 0.0 110.273 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -60.39 -28.25 68.08 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.567 -0.708 . . . . 0.0 110.381 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.07 -29.09 60.58 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.557 -0.715 . . . . 0.0 110.242 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -61.58 -26.48 67.99 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.567 -0.708 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 N--CA 1.499 1.98 0 O-C-N 121.521 -0.737 . . . . 0.0 110.33 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttt . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.054 0.454 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.42 99.76 6.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.665 -0.647 . . . . 0.0 110.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.508 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 18.4 t -81.11 -176.82 6.16 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.678 -0.639 . . . . 0.0 110.134 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.4 p -70.02 -28.75 65.75 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.587 -0.695 . . . . 0.0 110.156 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -67.33 -29.32 68.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.607 -0.683 . . . . 0.0 110.073 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.6 -36.18 52.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.521 -0.737 . . . . 0.0 110.037 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -73.82 -29.22 62.03 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.58 -0.7 . . . . 0.0 110.084 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -62.45 -52.74 62.32 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.605 -0.684 . . . . 0.0 110.143 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.51 -29.59 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.607 -0.683 . . . . 0.0 109.802 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -68.5 -32.87 73.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.544 -0.722 . . . . 0.0 110.082 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.6 m -85.85 -29.41 23.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.61 -0.681 . . . . 0.0 110.129 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 m -84.97 -28.03 26.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.592 -0.692 . . . . 0.0 110.238 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -43.12 48.39 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.528 -0.733 . . . . 0.0 110.106 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.58 -28.19 65.33 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.474 -0.766 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -87.16 -26.83 23.39 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.537 -0.727 . . . . 0.0 110.155 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -69.16 -10.21 56.6 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.519 -0.738 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -91.87 20.62 5.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.124 -0.985 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -117.41 -17.01 10.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.359 -0.838 . . . . 0.0 110.824 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -139.5 26.23 2.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.253 -0.905 . . . . 0.0 110.631 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 85.2 m-70 -145.97 72.63 13.57 Favored Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.555 -0.715 . . . . 0.0 110.245 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.91 -50.74 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.062 0 O-C-N 123.351 1.185 . . . . 0.0 110.435 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.7 48.93 0.93 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.587 -0.695 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 t -113.47 -28.75 7.42 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.545 -0.722 . . . . 0.0 110.231 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 m 52.82 96.03 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.406 -0.809 . . . . 0.0 110.73 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 41' ' ' PHE . 75.5 t -92.08 100.34 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.639 -0.663 . . . . 0.0 110.262 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -94.46 46.85 1.16 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.568 -0.708 . . . . 0.0 109.608 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 60.13 -78.59 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.945 -0.472 . . . . 0.0 111.007 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.47 -27.78 7.16 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.996 -1.065 . . . . 0.0 111.776 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -73.53 -18.2 61.12 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.811 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB2' HG13 ' A' ' 36' ' ' VAL . 40.9 t80 -117.93 -44.63 2.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.463 -0.773 . . . . 0.0 109.963 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 p -55.53 -23.8 28.47 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.675 -0.641 . . . . 0.0 110.002 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -68.45 -30.11 68.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.654 -0.654 . . . . 0.0 109.752 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -86.8 -42.51 13.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.652 -0.655 . . . . 0.0 110.157 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 66.1 m -60.93 -28.41 68.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.584 -0.698 . . . . 0.0 110.128 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.5 p -72.06 -30.21 64.92 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.542 -0.724 . . . . 0.0 109.94 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.06 -30.27 63.59 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.63 -0.669 . . . . 0.0 109.837 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -90.85 -37.18 13.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.566 -0.709 . . . . 0.0 109.905 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -64.96 -37.44 87.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.626 -0.671 . . . . 0.0 110.024 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -79.92 -24.73 40.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.582 -0.698 . . . . 0.0 110.616 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.6 p -94.39 -21.98 18.6 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.437 -0.79 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.0 mtp -57.7 165.88 1.54 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.307 -0.871 . . . . 0.0 110.386 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -104.3 -168.68 1.52 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.6 -0.688 . . . . 0.0 110.365 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.87 -8.51 57.48 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.553 -0.717 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -74.66 -30.74 61.7 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.259 -0.901 . . . . 0.0 109.794 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -102.18 -37.42 8.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.703 -0.623 . . . . 0.0 109.926 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -67.81 -26.57 66.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.708 -0.62 . . . . 0.0 110.241 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 p -64.61 -32.19 73.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.508 -0.745 . . . . 0.0 110.273 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -68.87 -29.22 67.47 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.526 -0.734 . . . . 0.0 110.163 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -93.91 -28.8 15.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.57 -0.706 . . . . 0.0 110.185 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.71 -28.76 62.86 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.555 -0.716 . . . . 0.0 110.169 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.06 -28.72 48.92 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.494 -0.754 . . . . 0.0 110.146 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.2 mmt -81.14 -28.94 34.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.614 -0.679 . . . . 0.0 110.163 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -74.48 -41.37 60.85 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.589 -0.695 . . . . 0.0 110.115 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -65.15 -30.55 71.48 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.575 -0.703 . . . . 0.0 110.065 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -63.23 -37.49 87.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.646 -0.659 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -87.04 -32.44 19.99 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.589 -0.694 . . . . 0.0 110.089 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -65.29 -29.15 69.88 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.632 -0.667 . . . . 0.0 110.088 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.86 -25.53 35.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.687 -0.633 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -98.21 24.46 7.15 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.516 -0.74 . . . . 0.0 110.594 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 O-C-N 121.399 -0.813 . . . . 0.0 110.245 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.092 0.473 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.452 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 24.0 ttm -161.11 123.46 3.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.651 -0.655 . . . . 0.0 110.166 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 t -82.35 -179.84 7.55 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.617 -0.677 . . . . 0.0 110.242 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.5 p -69.07 -28.73 66.79 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.568 -0.707 . . . . 0.0 110.177 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -70.78 -29.15 65.28 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.616 -0.677 . . . . 0.0 110.184 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' HB3' ' HG2' ' A' ' 13' ' ' MET . . . -77.53 -30.28 52.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.491 -0.756 . . . . 0.0 110.045 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -76.99 -29.41 55.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.536 -0.727 . . . . 0.0 110.088 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -62.17 -56.69 16.21 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.576 -0.703 . . . . 0.0 109.949 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.34 -31.39 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.594 -0.691 . . . . 0.0 109.629 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.14 -51.29 39.87 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.579 -0.701 . . . . 0.0 109.832 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 m -69.88 -30.69 68.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.61 -0.681 . . . . 0.0 109.685 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -73.38 -28.65 62.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.622 -0.674 . . . . 0.0 109.917 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -69.18 -42.74 75.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.511 -0.743 . . . . 0.0 109.682 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -62.87 -46.8 86.17 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.625 -0.672 . . . . 0.0 109.643 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -62.74 -25.02 67.98 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.721 -0.612 . . . . 0.0 110.027 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.528 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 57.5 t-80 -95.23 36.3 1.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.514 -0.741 . . . . 0.0 110.113 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -130.12 25.01 5.24 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.135 -0.978 . . . . 0.0 110.885 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -108.39 -60.29 1.75 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.392 -0.817 . . . . 0.0 110.1 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.54 62.07 0.61 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.589 -0.694 . . . . 0.0 110.024 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 13.6 m80 -144.95 54.2 2.4 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 121.368 -0.833 . . . . 0.0 109.782 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.1 Cg_endo -72.36 -49.42 0.28 Allowed 'Trans proline' 0 C--N 1.318 -1.031 0 O-C-N 123.372 1.196 . . . . 0.0 110.431 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -101.89 40.39 1.33 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.597 -0.689 . . . . 0.0 110.236 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -132.14 126.69 34.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.596 -0.69 . . . . 0.0 110.214 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -91.04 145.3 24.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.564 -0.71 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.1 p -144.18 63.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.61 -0.681 . . . . 0.0 110.312 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -58.75 175.02 0.29 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.486 -0.759 . . . . 0.0 109.856 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -63.93 -43.45 95.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.279 -0.888 . . . . 0.0 110.357 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.07 -42.36 72.88 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.23 -0.919 . . . . 0.0 110.659 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.02 -15.5 59.55 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.164 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -113.09 -42.85 3.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 110.805 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.5 p -57.68 -21.69 41.65 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.55 -0.719 . . . . 0.0 110.033 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -88.54 -27.98 21.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.527 -0.733 . . . . 0.0 110.341 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.03 -36.83 21.0 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.527 -0.733 . . . . 0.0 110.841 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.1 p -59.45 -31.53 69.39 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.318 -0.864 . . . . 0.0 110.264 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.6 p -61.28 -36.12 79.18 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.602 -0.687 . . . . 0.0 110.192 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -62.06 -29.36 70.24 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.66 -0.65 . . . . 0.0 110.134 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -94.32 -38.58 10.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.682 -0.636 . . . . 0.0 110.119 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -63.08 -44.29 96.14 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.571 -0.706 . . . . 0.0 110.147 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -66.94 -28.41 68.26 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.666 -0.646 . . . . 0.0 110.21 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.9 p -85.76 -24.21 26.97 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.606 -0.684 . . . . 0.0 110.492 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.6 mmm -58.19 152.65 16.62 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.388 -0.82 . . . . 0.0 110.455 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.1 m -102.97 -176.13 3.0 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.619 -0.675 . . . . 0.0 110.274 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.57 -21.82 62.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.665 -0.647 . . . . 0.0 110.675 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -69.55 -29.98 67.68 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.394 -0.816 . . . . 0.0 109.933 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -99.94 -41.83 7.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.586 -0.697 . . . . 0.0 110.023 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -60.22 -23.86 64.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.663 -0.648 . . . . 0.0 110.384 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -63.6 -31.55 72.76 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.441 -0.787 . . . . 0.0 110.278 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -69.15 -30.39 68.62 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.57 -0.706 . . . . 0.0 110.185 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -88.55 -28.79 20.51 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.571 -0.706 . . . . 0.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -79.17 -28.91 42.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.617 -0.677 . . . . 0.0 110.149 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -76.23 -29.14 57.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.623 -0.673 . . . . 0.0 110.147 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.9 mmt -81.63 -29.78 33.08 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.601 -0.687 . . . . 0.0 110.144 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 13' ' ' MET . . . -81.09 -29.4 34.91 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.642 -0.661 . . . . 0.0 110.154 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -72.9 -30.0 63.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.622 -0.674 . . . . 0.0 110.135 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -63.89 -37.78 88.65 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.606 -0.684 . . . . 0.0 110.054 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.3 -29.29 21.71 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.626 -0.672 . . . . 0.0 110.127 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.73 -30.11 65.26 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.666 -0.646 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.84 -29.09 22.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.66 -0.65 . . . . 0.0 110.246 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -63.17 -31.05 72.1 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.499 -0.751 . . . . 0.0 110.109 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 . . . . . 0 N--CA 1.496 1.864 0 O-C-N 121.53 -0.732 . . . . 0.0 110.083 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 121.07 0.462 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 61.6 mtt -103.01 -168.52 1.53 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.592 -0.692 . . . . 0.0 110.167 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.0 t -162.87 178.84 8.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.622 -0.674 . . . . 0.0 110.225 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -63.03 -29.07 70.53 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.545 -0.722 . . . . 0.0 110.227 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -76.51 -30.6 57.25 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.98 -29.37 39.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.709 . . . . 0.0 110.14 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -81.0 -29.25 35.22 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.576 -0.702 . . . . 0.0 110.121 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -62.19 -47.31 85.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.621 -0.674 . . . . 0.0 109.943 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.47 -35.03 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.585 -0.697 . . . . 0.0 109.803 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.2 -58.61 5.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.518 -0.739 . . . . 0.0 109.969 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.6 m -63.14 -29.61 70.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.516 -0.74 . . . . 0.0 109.996 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 m -75.87 -29.87 58.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.615 -0.678 . . . . 0.0 110.101 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -78.25 -35.53 48.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.574 -0.704 . . . . 0.0 110.054 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.85 -50.18 73.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.602 -0.687 . . . . 0.0 109.893 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.48 -27.15 68.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.688 -0.633 . . . . 0.0 110.11 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -68.49 -28.95 67.47 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.473 -0.767 . . . . 0.0 110.089 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -80.66 60.22 3.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.587 -0.696 . . . . 0.0 110.156 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -152.88 -44.65 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.61 -0.681 . . . . 0.0 110.038 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 13.6 ptpt -119.83 31.66 6.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.679 -0.638 . . . . 0.0 110.246 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 84.3 m-70 -146.08 60.17 6.14 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.682 -0.636 . . . . 0.0 110.021 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.81 -48.1 0.31 Allowed 'Trans proline' 0 C--N 1.317 -1.08 0 O-C-N 123.298 1.157 . . . . 0.0 110.538 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -94.75 59.85 2.44 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.566 -0.708 . . . . 0.0 110.244 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -152.27 -158.83 0.94 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.552 -0.717 . . . . 0.0 110.235 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 m -154.53 161.28 41.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.616 -0.678 . . . . 0.0 110.017 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.3 p -158.37 68.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.574 -0.704 . . . . 0.0 110.439 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -60.43 176.18 0.38 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.49 -0.756 . . . . 0.0 109.618 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -66.78 -42.43 86.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.275 -0.891 . . . . 0.0 110.335 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.38 -43.42 70.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.256 -0.903 . . . . 0.0 110.726 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.02 -16.29 59.32 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.178 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -112.06 -43.7 3.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.259 -0.9 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -55.8 -23.22 28.81 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.433 -0.792 . . . . 0.0 109.984 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -86.61 -26.74 24.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.485 -0.759 . . . . 0.0 110.186 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -84.4 -40.68 17.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.484 -0.76 . . . . 0.0 110.759 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.3 p -57.98 -30.29 65.92 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.4 -0.813 . . . . 0.0 110.318 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.0 p -70.97 -36.31 72.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.691 -0.631 . . . . 0.0 109.932 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.16 -25.03 63.55 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.64 -0.662 . . . . 0.0 110.208 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -102.73 -31.48 10.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.513 -0.742 . . . . 0.0 110.046 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -71.86 -29.63 64.58 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.638 -0.664 . . . . 0.0 110.1 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -27.47 61.93 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.558 -0.714 . . . . 0.0 110.18 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 t -112.25 4.09 17.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.774 . . . . 0.0 111.165 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -168.68 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.203 -0.935 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 m -128.43 152.1 48.6 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.608 -0.683 . . . . 0.0 110.238 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.415 ' HA ' ' CG ' ' A' ' 57' ' ' LYS . . . -51.93 -26.12 9.68 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.608 -0.683 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -76.58 -29.77 56.75 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.538 -0.726 . . . . 0.0 110.078 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -81.01 -28.73 35.34 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.607 -0.683 . . . . 0.0 110.19 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 13.6 ptmt -97.36 4.18 50.81 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.625 -0.672 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.1 p -65.85 -29.09 69.49 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.125 -0.984 . . . . 0.0 110.062 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -78.27 -29.61 48.09 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.544 -0.722 . . . . 0.0 110.096 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -85.25 -30.48 23.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.579 -0.7 . . . . 0.0 110.126 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.83 -29.25 65.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.636 -0.665 . . . . 0.0 110.124 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.4 -28.56 26.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.613 -0.679 . . . . 0.0 110.227 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.2 mmm -77.57 -28.73 51.81 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.582 -0.699 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.8 -28.99 40.17 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.542 -0.724 . . . . 0.0 110.22 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -81.13 -28.63 35.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.532 -0.73 . . . . 0.0 110.247 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.1 t -74.49 -29.89 61.6 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.587 -0.696 . . . . 0.0 110.127 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.8 -31.5 23.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.613 -0.68 . . . . 0.0 110.19 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.15 -28.64 68.94 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.606 -0.684 . . . . 0.0 110.212 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.44 -29.27 66.94 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.609 -0.682 . . . . 0.0 110.221 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 ttt85 -65.91 -30.74 71.38 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.541 -0.724 . . . . 0.0 110.126 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.7 t80 . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.606 -0.684 . . . . 0.0 110.365 179.946 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.139 0.495 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.1 mtt -153.21 118.76 5.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.57 -0.706 . . . . 0.0 110.158 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -78.44 179.93 6.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.562 -0.711 . . . . 0.0 110.057 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p -70.29 -28.47 65.22 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.689 -0.632 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -73.51 -32.2 64.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.537 -0.727 . . . . 0.0 110.128 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.9 -46.65 64.96 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.596 -0.69 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.47 -29.16 70.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.636 -0.665 . . . . 0.0 110.098 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.67 -61.35 2.57 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.575 -0.703 . . . . 0.0 110.07 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.0 -29.94 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.55 -0.719 . . . . 0.0 109.744 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -68.43 -50.28 53.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.647 -0.658 . . . . 0.0 110.016 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.0 m -66.56 -29.17 69.19 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.579 -0.701 . . . . 0.0 110.023 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -80.66 -21.18 41.62 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.599 -0.688 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -45.05 65.52 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.402 -0.811 . . . . 0.0 109.684 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -65.93 -43.84 86.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.753 -0.592 . . . . 0.0 109.821 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.44 -26.11 67.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.655 -0.653 . . . . 0.0 110.041 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.554 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 55.0 t-80 -96.48 38.88 1.18 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.549 -0.72 . . . . 0.0 110.068 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.3 tttt -124.24 33.56 5.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.386 -0.821 . . . . 0.0 110.649 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.61 -60.42 1.85 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.808 . . . . 0.0 110.214 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -113.15 64.89 0.64 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.564 -0.71 . . . . 0.0 110.202 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 43.7 m-70 -145.38 60.56 6.95 Favored Pre-proline 0 N--CA 1.501 2.086 0 O-C-N 121.287 -0.883 . . . . 0.0 109.916 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.5 -50.12 0.25 Allowed 'Trans proline' 0 C--N 1.317 -1.131 0 O-C-N 123.248 1.131 . . . . 0.0 110.369 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -122.47 48.32 1.78 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.556 -0.715 . . . . 0.0 110.194 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 t -95.02 -20.58 19.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.676 -0.64 . . . . 0.0 110.734 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 p 52.26 42.17 30.72 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.371 -0.831 . . . . 0.0 110.805 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -71.89 69.2 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.58 -0.7 . . . . 0.0 110.349 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -58.88 -177.9 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.385 -0.822 . . . . 0.0 109.763 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -67.36 -42.74 82.96 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.22 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.509 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -71.5 -41.86 68.74 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.182 -0.949 . . . . 0.0 110.535 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -15.82 58.95 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.021 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' HB2' HG22 ' A' ' 36' ' ' VAL . 23.9 t80 -113.38 -45.82 3.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 110.893 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.509 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 84.9 p -56.41 -24.0 42.07 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.533 -0.729 . . . . 0.0 110.216 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -76.22 -30.0 57.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.641 -0.662 . . . . 0.0 109.733 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -85.13 -43.11 14.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.575 -0.703 . . . . 0.0 110.196 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 50.8 m -61.31 -29.78 70.09 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.538 -0.726 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -69.98 -34.44 73.36 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.574 -0.704 . . . . 0.0 109.809 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.5 -28.55 69.92 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.624 -0.672 . . . . 0.0 110.017 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -93.05 -40.43 10.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.592 -0.692 . . . . 0.0 109.952 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -61.93 -45.36 94.03 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.589 -0.694 . . . . 0.0 109.817 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -67.23 -27.27 67.09 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.565 -0.709 . . . . 0.0 110.388 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -103.48 3.27 34.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.522 -0.736 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.0 mmm -69.03 141.6 54.79 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.126 -0.984 . . . . 0.0 110.166 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.0 m -66.65 153.21 43.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.537 -0.727 . . . . 0.0 110.266 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.93 67.95 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.652 -0.655 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -73.67 -28.37 61.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.582 -0.699 . . . . 0.0 110.161 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.47 -52.4 7.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.591 -0.693 . . . . 0.0 110.148 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -62.1 -18.69 61.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.563 -0.71 . . . . 0.0 110.815 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.8 p -55.79 -27.14 49.59 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.233 -0.917 . . . . 0.0 110.628 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -75.7 -29.45 58.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.567 -0.708 . . . . 0.0 110.081 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -85.08 -29.48 24.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.587 -0.696 . . . . 0.0 110.092 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -76.68 -29.57 56.38 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.626 -0.671 . . . . 0.0 110.137 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.26 -29.15 42.47 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.556 -0.715 . . . . 0.0 110.118 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.5 mtp -78.96 -30.2 44.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.601 -0.687 . . . . 0.0 110.096 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.8 46.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.648 -0.657 . . . . 0.0 110.1 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -73.25 -29.8 63.02 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 110.104 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.1 t -62.91 -35.83 81.35 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.576 -0.702 . . . . 0.0 110.048 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.1 -30.94 23.62 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.615 -0.678 . . . . 0.0 110.09 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -70.32 -33.57 71.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.569 -0.707 . . . . 0.0 110.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.3 -29.53 28.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.587 -0.696 . . . . 0.0 110.181 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -69.47 -28.54 66.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.52 -0.738 . . . . 0.0 110.182 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 26.7 t80 . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.591 -0.693 . . . . 0.0 110.157 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.071 0.462 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttm -160.85 -162.76 0.96 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.586 -0.697 . . . . 0.0 110.139 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 t -146.25 178.34 8.32 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.579 -0.7 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -70.45 -28.57 65.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.52 -0.738 . . . . 0.0 110.164 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -69.72 -28.4 65.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.555 -0.716 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.9 -31.42 56.72 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.552 -0.717 . . . . 0.0 110.113 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -82.74 -28.83 30.18 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.543 -0.723 . . . . 0.0 110.246 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -66.26 -38.63 88.29 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 0.0 110.141 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.9 t -80.27 -33.15 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.528 -0.733 . . . . 0.0 109.951 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -69.5 -29.14 66.71 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.551 -0.718 . . . . 0.0 110.198 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.8 m -84.26 -29.38 26.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.587 -0.696 . . . . 0.0 110.224 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 m -89.71 -29.37 18.79 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.605 -0.684 . . . . 0.0 110.188 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.83 -37.65 58.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.524 -0.735 . . . . 0.0 110.059 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -66.34 -33.62 76.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.603 -0.686 . . . . 0.0 110.06 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -88.96 -0.07 57.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.49 -0.757 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -86.4 -53.32 5.07 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.187 -0.946 . . . . 0.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -58.62 -28.3 65.51 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.601 -0.687 . . . . 0.0 110.467 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -62.49 -27.02 68.84 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.572 -0.705 . . . . 0.0 110.271 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 14.3 ptpt -128.54 16.88 6.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.487 -0.758 . . . . 0.0 111.137 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.435 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 59.5 m-70 -143.42 58.86 6.88 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.292 -0.88 . . . . 0.0 110.075 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.04 -30.33 10.93 Favored 'Trans proline' 0 C--N 1.316 -1.14 0 O-C-N 123.34 1.179 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -82.6 -44.96 15.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.595 -0.691 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 p -79.9 147.72 31.56 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.609 -0.682 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.9 t -92.17 -177.59 4.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.66 -0.65 . . . . 0.0 110.178 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.8 p -167.4 65.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.546 -0.721 . . . . 0.0 110.208 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -58.63 -174.34 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.495 -0.753 . . . . 0.0 109.594 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -72.62 -41.72 65.24 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.399 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.89 -44.13 70.36 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.208 -0.932 . . . . 0.0 110.944 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.95 -16.19 58.46 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.177 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -112.3 -43.39 3.53 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.889 . . . . 0.0 110.927 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.4 p -57.81 -21.39 41.89 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.533 -0.729 . . . . 0.0 110.077 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -87.87 -27.28 22.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.535 -0.728 . . . . 0.0 110.498 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -85.11 -38.23 19.33 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.56 -0.713 . . . . 0.0 110.745 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.9 p -59.72 -32.21 70.33 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.356 -0.84 . . . . 0.0 110.38 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -35.4 80.15 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.615 -0.678 . . . . 0.0 110.36 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.47 -30.12 70.4 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.457 -0.777 . . . . 0.0 109.986 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -94.63 -30.98 14.05 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.646 -0.659 . . . . 0.0 110.022 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -70.28 -47.07 62.85 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.684 -0.635 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -67.34 -27.27 66.99 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.568 -0.708 . . . . 0.0 110.31 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.5 p -85.59 -24.33 27.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.496 -0.752 . . . . 0.0 110.603 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.7 mmm -58.18 154.23 13.48 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.423 -0.798 . . . . 0.0 110.403 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.5 p -97.53 175.8 6.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.559 -0.713 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.12 -26.47 64.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.698 -0.626 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -68.83 -31.35 70.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.437 -0.789 . . . . 0.0 109.748 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -96.12 -42.28 8.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.651 -0.656 . . . . 0.0 109.78 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -61.23 -23.95 66.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.732 -0.605 . . . . 0.0 110.296 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.1 p -62.83 -30.78 71.75 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.47 -0.769 . . . . 0.0 110.207 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -61.98 -30.12 70.72 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.505 -0.747 . . . . 0.0 110.194 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -89.84 -28.9 18.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.621 -0.674 . . . . 0.0 110.188 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.89 -29.96 35.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.57 -0.706 . . . . 0.0 110.147 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -73.97 -28.75 61.64 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.599 -0.688 . . . . 0.0 110.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.2 mtm -83.92 -29.04 27.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.552 -0.717 . . . . 0.0 110.199 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.27 -38.09 43.5 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.61 -0.681 . . . . 0.0 110.145 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -66.15 -29.16 69.4 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.582 -0.699 . . . . 0.0 110.145 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 t -65.02 -53.76 40.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.5 -0.75 . . . . 0.0 110.153 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.88 -28.83 62.73 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.555 -0.715 . . . . 0.0 110.173 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -68.82 -28.63 66.92 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.527 -0.733 . . . . 0.0 110.228 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.74 -27.78 13.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.601 -0.687 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -60.51 -33.38 72.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.536 -0.728 . . . . 0.0 110.272 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.5 t80 . . . . . 0 N--CA 1.496 1.874 0 O-C-N 121.588 -0.695 . . . . 0.0 110.269 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.066 0.46 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.443 ' CB ' ' CE2' ' A' ' 18' ' ' PHE . 12.1 mtt -158.56 114.82 2.72 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.596 -0.69 . . . . 0.0 110.164 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -69.61 -178.98 1.58 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.583 -0.698 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.2 p -69.94 -29.1 66.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.542 -0.723 . . . . 0.0 110.161 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -75.81 -29.23 58.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.566 -0.708 . . . . 0.0 110.082 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.54 -30.53 52.83 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.601 -0.687 . . . . 0.0 110.03 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.443 ' CE2' ' CB ' ' A' ' 13' ' ' MET . 4.3 m-85 -76.89 -29.37 55.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.661 -0.649 . . . . 0.0 110.016 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.77 -54.5 38.11 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.541 -0.725 . . . . 0.0 110.139 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.2 -31.55 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.598 -0.689 . . . . 0.0 109.791 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -70.45 -47.83 58.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.709 . . . . 0.0 109.903 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.7 m -75.69 -29.62 59.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.521 -0.737 . . . . 0.0 110.006 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -72.44 -26.56 61.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.589 -0.694 . . . . 0.0 110.213 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -67.92 -46.49 71.39 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.573 -0.705 . . . . 0.0 109.576 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.32 -42.15 98.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.708 -0.62 . . . . 0.0 109.508 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.3 -24.15 67.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.72 -0.612 . . . . 0.0 109.919 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.557 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 57.0 t-80 -96.1 37.6 1.23 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.502 -0.749 . . . . 0.0 109.964 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.0 tttt -127.33 40.5 3.69 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.25 -0.906 . . . . 0.0 110.535 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -125.86 -45.02 1.76 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.47 -0.769 . . . . 0.0 110.172 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.58 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -127.43 61.05 1.39 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.646 -0.659 . . . . 0.0 110.034 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.58 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 42.4 m-70 -144.99 53.58 2.09 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.355 -0.841 . . . . 0.0 109.828 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.04 -50.67 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 O-C-N 123.326 1.172 . . . . 0.0 110.532 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -91.49 -28.53 17.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.632 -0.668 . . . . 0.0 110.226 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 m -79.66 124.33 28.46 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.61 -0.681 . . . . 0.0 110.238 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.6 m -88.29 -178.6 5.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.609 -0.682 . . . . 0.0 110.043 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.6 p -167.69 60.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.582 -0.699 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -58.19 -175.13 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.31 -0.869 . . . . 0.0 109.678 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' SER . 98.6 m-85 -64.65 -60.58 2.95 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.419 -0.8 . . . . 0.0 111.071 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.78 -55.2 24.65 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.381 -0.824 . . . . 0.0 112.297 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -52.9 -24.36 9.04 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.218 -0.926 . . . . 0.0 110.3 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -104.01 -14.54 15.9 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.626 -0.671 . . . . 0.0 110.758 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' PHE . 13.5 p -79.04 -26.71 43.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.354 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -86.37 -26.44 24.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.708 -0.62 . . . . 0.0 110.189 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -83.62 -42.71 16.42 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.546 -0.722 . . . . 0.0 110.703 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -58.25 -33.05 68.94 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.39 -0.819 . . . . 0.0 110.505 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.7 p -65.11 -37.05 86.21 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.68 -0.638 . . . . 0.0 110.014 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -62.87 -32.12 73.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.63 -0.668 . . . . 0.0 109.981 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.28 -42.02 12.53 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.607 -0.683 . . . . 0.0 109.996 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -63.43 -32.84 74.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.595 -0.691 . . . . 0.0 110.026 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -77.29 -29.1 53.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.566 -0.709 . . . . 0.0 110.145 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -92.11 -17.63 24.69 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.592 -0.692 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.4 mmm -56.22 164.4 1.31 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.298 -0.876 . . . . 0.0 110.529 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -107.24 175.24 5.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.632 -0.668 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.91 -24.77 65.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.564 -0.71 . . . . 0.0 110.551 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -68.57 -30.57 69.36 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.379 -0.826 . . . . 0.0 109.901 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -96.22 -44.92 7.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.683 -0.635 . . . . 0.0 109.948 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -61.56 -23.24 65.84 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.693 -0.629 . . . . 0.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 p -67.51 -31.57 71.79 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.416 -0.803 . . . . 0.0 110.292 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.69 -29.11 69.61 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.465 -0.772 . . . . 0.0 110.184 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -86.74 -29.38 22.41 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.67 -0.644 . . . . 0.0 110.301 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -67.84 -29.41 68.54 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.615 -0.678 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.81 -28.28 44.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.572 -0.705 . . . . 0.0 110.284 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.5 mtt -70.05 -30.76 68.12 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.513 -0.742 . . . . 0.0 110.243 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.33 22.26 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.667 -0.646 . . . . 0.0 110.153 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -28.48 69.2 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.547 -0.72 . . . . 0.0 110.232 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 t -61.41 -46.72 88.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 0.0 110.186 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.97 -29.88 39.64 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.57 -0.706 . . . . 0.0 110.153 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -62.3 -28.84 70.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.582 -0.698 . . . . 0.0 110.148 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.83 -28.88 20.11 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.586 -0.696 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -78.9 -28.67 44.02 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.61 -0.681 . . . . 0.0 110.212 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.9 t80 . . . . . 0 N--CA 1.496 1.849 0 O-C-N 121.567 -0.708 . . . . 0.0 110.205 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 121.056 0.455 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -131.95 118.23 19.5 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.605 -0.684 . . . . 0.0 110.179 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.483 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 6.3 t -91.07 179.09 5.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.563 -0.711 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.1 p -69.06 -27.62 65.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.606 -0.684 . . . . 0.0 110.333 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -60.48 -28.35 68.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 110.229 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -29.42 51.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 110.169 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -82.63 -28.92 30.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.642 -0.661 . . . . 0.0 110.169 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 52.9 t80 -66.35 -56.14 12.56 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.28 -28.85 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.531 -0.731 . . . . 0.0 109.852 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -71.55 -47.69 53.37 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.606 -0.684 . . . . 0.0 110.149 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -65.27 -29.43 70.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.609 -0.682 . . . . 0.0 110.186 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.6 m -84.35 -27.99 27.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.532 -0.73 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.33 -39.05 65.55 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.608 -0.682 . . . . 0.0 110.125 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -61.94 -54.6 39.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.65 -0.656 . . . . 0.0 110.067 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.75 -28.77 68.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.605 -0.684 . . . . 0.0 110.198 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -69.5 -35.3 75.4 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.661 -0.649 . . . . 0.0 110.138 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -63.82 -58.67 6.1 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.608 -0.683 . . . . 0.0 110.39 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -58.68 -24.97 62.34 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.484 -0.76 . . . . 0.0 110.514 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.669 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 1.4 tttm -91.81 -21.29 20.74 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.575 -0.703 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.669 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 40.4 m80 -131.52 85.79 51.52 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 121.284 -0.885 . . . . 0.0 110.043 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.95 -29.4 10.22 Favored 'Trans proline' 0 C--N 1.317 -1.111 0 O-C-N 123.484 1.255 . . . . 0.0 110.789 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -124.0 73.08 1.2 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.483 -0.761 . . . . 0.0 110.492 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -160.32 134.79 7.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.562 -0.711 . . . . 0.0 110.125 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.8 p -81.75 131.95 35.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.58 -0.7 . . . . 0.0 110.022 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.1 p -144.07 66.8 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.642 -0.661 . . . . 0.0 110.43 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -59.98 -167.67 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.365 -0.834 . . . . 0.0 109.586 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -71.0 -41.08 71.42 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.886 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.423 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -72.18 -44.01 63.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.109 -0.995 . . . . 0.0 110.999 -179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.89 -16.65 52.33 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.081 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.484 ' HB2' HG22 ' A' ' 36' ' ' VAL . 19.8 t80 -112.57 -48.11 3.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.372 -0.83 . . . . 0.0 111.257 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.423 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 80.9 p -55.81 -24.08 33.95 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.336 -0.852 . . . . 0.0 110.392 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.75 -28.74 67.07 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.596 -0.69 . . . . 0.0 109.9 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -91.28 -46.39 8.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.534 -0.729 . . . . 0.0 110.3 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 68.9 m -61.17 -28.87 69.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.498 -0.751 . . . . 0.0 110.144 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 p -64.58 -40.53 95.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.55 -0.719 . . . . 0.0 110.004 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.42 -28.82 70.24 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.611 -0.681 . . . . 0.0 110.162 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -88.83 -43.82 10.94 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.526 -0.734 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.428 ' CH2' ' HB2' ' A' ' 57' ' ' LYS . 60.2 t-105 -61.07 -49.69 76.3 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.561 -0.712 . . . . 0.0 110.316 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -63.27 -26.11 68.63 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.609 -0.682 . . . . 0.0 110.523 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.5 p -89.72 -26.06 20.85 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.56 -0.713 . . . . 0.0 110.56 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.3 mmm -59.67 130.29 46.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.476 -0.765 . . . . 0.0 110.345 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.5 m -79.62 157.92 27.19 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.557 -0.714 . . . . 0.0 110.03 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.39 -26.67 8.23 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.489 -0.757 . . . . 0.0 110.908 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -73.34 -27.22 61.39 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.607 -0.683 . . . . 0.0 110.013 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -90.14 -35.54 15.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.51 -0.743 . . . . 0.0 110.221 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 51.3 pttt -95.63 28.68 2.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.521 -0.737 . . . . 0.0 110.543 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.4 p -79.79 -29.48 40.38 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.492 -0.755 . . . . 0.0 110.227 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -73.31 -29.51 62.75 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.524 -0.735 . . . . 0.0 110.115 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -81.59 -31.42 32.56 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.56 -0.713 . . . . 0.0 110.122 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -77.27 -28.63 53.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.621 -0.674 . . . . 0.0 110.239 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -78.7 -28.84 45.19 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.642 -0.661 . . . . 0.0 110.16 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.6 mmt -79.94 -29.67 39.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.637 -0.664 . . . . 0.0 110.158 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -77.27 -36.52 54.24 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.555 -0.716 . . . . 0.0 110.125 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -66.76 -28.97 68.83 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 t -61.28 -39.63 91.11 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.612 -0.68 . . . . 0.0 110.162 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.53 -28.63 20.65 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.634 -0.666 . . . . 0.0 110.199 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -66.72 -32.43 73.74 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.475 -0.766 . . . . 0.0 110.201 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.69 -28.99 36.55 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.518 -0.739 . . . . 0.0 110.153 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -63.12 -28.67 70.23 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.546 -0.722 . . . . 0.0 110.182 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.2 t80 . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.605 -0.684 . . . . 0.0 110.289 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.041 0.448 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.4 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 7.4 mmt -131.04 178.28 6.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.625 -0.672 . . . . 0.0 110.216 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -154.86 44.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.592 -0.693 . . . . 0.0 110.229 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p 67.23 -60.58 0.37 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.682 -0.636 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -60.67 -28.25 68.45 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.173 -0.955 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -29.42 61.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.465 -0.772 . . . . 0.0 110.179 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.4 ' CE2' ' HG3' ' A' ' 13' ' ' MET . 3.8 m-85 -81.19 -28.76 34.82 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.528 -0.733 . . . . 0.0 110.15 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.04 -49.92 68.27 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.605 -0.684 . . . . 0.0 110.157 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.61 -28.53 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.587 -0.695 . . . . 0.0 109.926 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -74.35 -28.57 61.19 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.467 -0.771 . . . . 0.0 110.206 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 m -94.87 -27.82 15.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.621 -0.675 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 m -81.36 -28.28 34.52 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.546 -0.721 . . . . 0.0 110.284 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -73.65 -37.02 65.44 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.533 -0.729 . . . . 0.0 110.199 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.43 -50.67 64.56 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.528 -0.732 . . . . 0.0 110.153 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.76 -24.04 66.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.613 -0.679 . . . . 0.0 110.411 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -73.26 -40.6 64.49 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.473 -0.767 . . . . 0.0 110.41 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -69.55 -20.05 63.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.553 -0.717 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -78.09 -24.5 47.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.313 -0.867 . . . . 0.0 110.855 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 10.4 ptpt -118.17 17.81 13.91 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.335 -0.853 . . . . 0.0 111.241 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 60.7 m-70 -144.16 79.21 13.16 Favored Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 121.285 -0.885 . . . . 0.0 110.247 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.9 -42.51 0.77 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.404 1.213 . . . . 0.0 110.354 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -109.96 66.4 0.63 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.562 -0.711 . . . . 0.0 110.324 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -153.12 127.31 9.12 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.505 -0.747 . . . . 0.0 110.141 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.8 m -82.9 131.23 35.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.526 -0.734 . . . . 0.0 110.204 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.9 p -141.56 65.25 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.597 -0.69 . . . . 0.0 110.332 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.0 -170.01 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.435 -0.791 . . . . 0.0 109.688 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' SER . 84.3 m-85 -68.38 -43.71 76.75 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 119.454 -0.899 . . . . 0.0 110.755 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -69.13 -45.5 70.0 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.025 -1.047 . . . . 0.0 111.241 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.55 -16.6 49.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.389 -0.819 . . . . 0.0 110.284 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.526 ' HB2' HG22 ' A' ' 36' ' ' VAL . 32.0 t80 -112.41 -44.34 3.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 0.0 111.003 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.487 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 88.6 p -56.63 -22.38 33.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.519 -0.738 . . . . 0.0 110.202 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -82.65 -25.02 33.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.522 -0.736 . . . . 0.0 110.505 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -84.66 -43.26 14.54 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.465 -0.772 . . . . 0.0 110.964 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -58.44 -29.15 65.93 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.359 -0.838 . . . . 0.0 110.431 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.3 p -67.1 -33.39 75.36 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.627 -0.671 . . . . 0.0 110.133 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.53 -33.88 71.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.51 -0.744 . . . . 0.0 110.077 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -28.2 19.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.647 -0.658 . . . . 0.0 110.095 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -74.78 -33.53 62.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.526 -0.734 . . . . 0.0 110.309 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -83.04 -27.91 29.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.461 -0.775 . . . . 0.0 110.414 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.6 p -81.48 -26.19 35.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.556 -0.715 . . . . 0.0 110.36 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 36.2 mtp -59.38 164.88 3.05 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.399 -0.813 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.4 t -100.86 175.83 5.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.586 -0.696 . . . . 0.0 110.278 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.73 -24.51 63.56 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.607 -0.683 . . . . 0.0 110.481 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.98 -31.44 71.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.479 -0.763 . . . . 0.0 109.832 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.93 -41.37 9.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.712 -0.618 . . . . 0.0 109.869 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -66.46 -21.23 66.19 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.725 -0.61 . . . . 0.0 110.434 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 p -73.18 -29.61 62.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.346 -0.846 . . . . 0.0 110.255 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -61.67 -29.19 69.92 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.587 -0.696 . . . . 0.0 110.093 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -83.25 -29.23 28.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.635 -0.665 . . . . 0.0 110.185 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.04 -28.95 57.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.57 -0.706 . . . . 0.0 110.216 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.05 -28.6 57.72 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.601 -0.687 . . . . 0.0 110.233 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.9 mmt -78.83 -29.47 44.72 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.499 -0.751 . . . . 0.0 110.182 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.28 52.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.567 -0.708 . . . . 0.0 110.169 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -67.18 -29.53 69.24 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.596 -0.69 . . . . 0.0 110.148 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 t -62.1 -38.56 89.35 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.59 -0.694 . . . . 0.0 110.081 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -85.48 -30.13 23.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.539 -0.726 . . . . 0.0 110.118 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -70.8 -33.2 70.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.576 -0.702 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.27 -28.12 56.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.608 -0.682 . . . . 0.0 110.258 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 -95.34 23.57 5.77 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.475 -0.765 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.398 -0.814 . . . . 0.0 110.531 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.035 0.445 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 39.9 mtt -139.45 -168.21 2.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.635 -0.666 . . . . 0.0 110.108 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -146.66 178.35 8.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.576 -0.702 . . . . 0.0 110.121 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.2 p -77.39 -28.49 52.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.538 -0.726 . . . . 0.0 110.212 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -75.86 -29.17 58.44 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.523 -0.736 . . . . 0.0 110.201 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.39 -38.76 63.03 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.566 -0.709 . . . . 0.0 110.102 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.17 -29.04 65.83 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.627 -0.67 . . . . 0.0 110.039 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -61.73 -58.46 7.93 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.0 110.058 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.44 -36.69 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.571 -0.706 . . . . 0.0 109.706 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -63.64 -44.72 93.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.52 -0.738 . . . . 0.0 109.961 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.3 m -78.08 -29.46 49.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.585 -0.697 . . . . 0.0 110.029 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.1 m -74.76 -27.48 60.36 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.505 -0.747 . . . . 0.0 110.155 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.32 -43.55 66.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.499 -0.751 . . . . 0.0 109.674 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -62.72 -43.29 99.18 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.692 -0.63 . . . . 0.0 109.74 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -25.38 67.43 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.735 -0.603 . . . . 0.0 110.055 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.528 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 57.8 t-80 -95.4 37.39 1.19 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.497 -0.752 . . . . 0.0 109.901 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 41.41 3.48 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.233 -0.917 . . . . 0.0 110.503 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -127.05 -42.55 1.72 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.486 -0.759 . . . . 0.0 110.066 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.24 61.08 1.6 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.67 -0.644 . . . . 0.0 109.956 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 17.8 m80 -144.79 53.72 2.23 Favored Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.388 -0.82 . . . . 0.0 109.799 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.4 Cg_endo -72.86 -50.54 0.21 Allowed 'Trans proline' 0 C--N 1.316 -1.138 0 O-C-N 123.354 1.186 . . . . 0.0 110.504 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -84.81 -28.06 26.38 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.526 -0.734 . . . . 0.0 110.377 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -87.56 129.51 35.07 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 0.0 110.191 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.5 p -91.86 -173.21 3.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.548 -0.72 . . . . 0.0 109.931 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.2 p -167.31 65.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.51 -0.744 . . . . 0.0 110.503 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -60.61 179.84 0.15 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.363 -0.836 . . . . 0.0 109.701 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -68.74 -45.08 72.4 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.328 -0.858 . . . . 0.0 110.19 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.25 -41.95 69.46 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.276 -0.89 . . . . 0.0 110.494 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -63.4 -16.09 59.5 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.964 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -112.39 -45.84 3.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.0 p -55.95 -23.62 33.15 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.637 -0.664 . . . . 0.0 110.117 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -79.47 -30.16 41.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.512 -0.743 . . . . 0.0 109.676 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -85.31 -43.42 13.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.665 -0.647 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.1 m -60.91 -29.41 69.58 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.48 -0.762 . . . . 0.0 109.986 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.7 p -67.72 -34.65 77.28 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.534 -0.729 . . . . 0.0 109.796 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.07 -29.34 70.48 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.695 -0.628 . . . . 0.0 109.972 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.2 ttt-85 -91.96 -35.53 13.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.632 -0.667 . . . . 0.0 110.052 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.404 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 72.2 t-105 -66.9 -48.82 67.54 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.628 -0.67 . . . . 0.0 110.046 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -66.39 -26.97 67.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.541 -0.725 . . . . 0.0 110.478 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.1 p -89.24 -27.14 20.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.471 -0.768 . . . . 0.0 110.386 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 mtp -59.76 153.8 19.64 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.486 -0.759 . . . . 0.0 110.245 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.5 t -100.97 -178.34 3.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.523 -0.736 . . . . 0.0 110.347 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.16 -21.28 65.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.649 -0.657 . . . . 0.0 110.714 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -68.98 -29.47 67.68 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.356 -0.84 . . . . 0.0 109.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -102.66 -39.37 7.08 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.646 -0.659 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 35.2 mtmt -70.03 -18.9 63.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.704 -0.623 . . . . 0.0 110.568 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 p -60.02 -30.16 68.97 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.388 -0.82 . . . . 0.0 110.391 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -66.87 -28.92 68.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.627 -0.67 . . . . 0.0 110.255 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.17 -28.66 21.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.602 -0.686 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.5 -28.64 63.01 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.517 -0.739 . . . . 0.0 110.178 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.66 -28.36 36.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.589 -0.694 . . . . 0.0 110.19 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 61.3 mtp -76.56 -31.41 57.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.6 -0.688 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.04 -39.25 61.1 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.563 -0.711 . . . . 0.0 110.123 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -65.08 -29.59 70.48 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.643 -0.661 . . . . 0.0 110.118 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -61.8 -39.27 91.14 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.574 -0.704 . . . . 0.0 110.091 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -83.25 -29.32 28.53 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.616 -0.678 . . . . 0.0 110.15 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.62 -29.1 67.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.638 -0.664 . . . . 0.0 110.061 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.16 -25.08 39.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.6 -0.687 . . . . 0.0 110.392 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -58.59 -27.85 65.02 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.484 -0.76 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.496 1.853 0 O-C-N 121.538 -0.726 . . . . 0.0 110.109 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.058 0.456 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.867 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -106.4 20.95 18.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.54 -0.725 . . . . 0.0 110.751 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 8.4 t 44.66 -156.15 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.44 -0.788 . . . . 0.0 111.733 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p -100.57 -21.54 15.26 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.619 -0.676 . . . . 0.0 110.005 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -94.07 -34.14 13.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.44 -0.787 . . . . 0.0 110.402 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.867 ' HB3' ' O ' ' A' ' 13' ' ' MET . . . -74.81 -29.71 61.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.412 -0.805 . . . . 0.0 109.804 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' A' ' 13' ' ' MET . 0.1 OUTLIER -71.47 -28.83 64.21 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.586 -0.696 . . . . 0.0 109.667 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -61.17 -49.34 77.59 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.604 -0.685 . . . . 0.0 110.257 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.5 t -61.98 -28.48 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.533 -0.729 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -78.22 -29.42 48.31 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.492 -0.755 . . . . 0.0 110.206 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 m -88.27 -28.63 20.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.613 -0.679 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -83.31 -27.95 29.42 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.543 -0.723 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -71.93 -39.97 69.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.541 -0.724 . . . . 0.0 110.187 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.11 -55.66 29.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.588 -0.695 . . . . 0.0 110.164 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.16 -25.61 67.85 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.574 -0.704 . . . . 0.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 51.7 t60 -70.91 -38.97 72.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.534 -0.729 . . . . 0.0 110.354 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -70.18 -13.85 62.37 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.661 -0.649 . . . . 0.0 111.157 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -87.98 -23.42 23.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.252 -0.905 . . . . 0.0 110.956 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 25.0 pttt -118.01 18.03 14.0 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.417 -0.802 . . . . 0.0 111.293 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 59.0 m-70 -144.53 79.99 12.12 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.354 -0.841 . . . . 0.0 110.275 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.26 -47.92 0.23 Allowed 'Trans proline' 0 C--N 1.317 -1.115 0 O-C-N 123.392 1.207 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.89 62.1 0.99 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.63 -0.669 . . . . 0.0 110.237 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -158.42 125.96 5.07 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.567 -0.708 . . . . 0.0 110.286 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -81.9 162.24 22.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.659 -0.651 . . . . 0.0 110.176 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.8 p -166.61 65.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.605 -0.684 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -59.59 -169.73 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.331 -0.855 . . . . 0.0 109.499 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -69.04 -41.9 77.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 0.0 110.815 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.508 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -70.08 -46.14 65.54 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.102 -0.999 . . . . 0.0 111.422 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -60.73 -17.15 46.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.311 -0.868 . . . . 0.0 110.341 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' HB2' HG22 ' A' ' 36' ' ' VAL . 14.0 t80 -111.61 -42.15 3.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.339 -0.85 . . . . 0.0 111.093 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.508 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 91.9 p -60.37 -18.52 50.8 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.478 -0.764 . . . . 0.0 110.289 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -89.21 -26.81 21.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.381 -0.824 . . . . 0.0 110.34 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -36.53 20.38 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.547 -0.721 . . . . 0.0 110.765 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -58.7 -27.51 64.93 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.36 -0.837 . . . . 0.0 110.414 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.2 p -67.5 -28.43 67.83 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.628 -0.67 . . . . 0.0 110.11 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.39 -28.11 61.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.565 -0.709 . . . . 0.0 110.188 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -94.52 -37.15 11.52 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.566 -0.709 . . . . 0.0 110.288 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -64.22 -47.37 79.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.614 -0.679 . . . . 0.0 110.252 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -64.55 -27.64 69.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.558 -0.714 . . . . 0.0 110.348 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.4 p -85.97 -27.87 24.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.504 -0.747 . . . . 0.0 110.312 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.9 mmm -60.79 137.7 58.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.507 -0.746 . . . . 0.0 110.284 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.9 m -88.61 163.56 15.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.59 -0.694 . . . . 0.0 110.146 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.55 -31.27 45.8 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.42 -0.8 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -74.38 -27.5 60.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.616 -0.677 . . . . 0.0 109.993 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.64 -36.09 16.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.566 -0.709 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.9 24.07 5.06 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.574 -0.703 . . . . 0.0 110.518 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.0 p -76.9 -29.49 55.76 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.493 -0.754 . . . . 0.0 109.971 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -67.92 -34.57 76.88 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.663 -0.648 . . . . 0.0 109.91 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -73.04 -42.69 62.88 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.697 -0.627 . . . . 0.0 109.893 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -69.84 -29.56 66.84 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.615 -0.678 . . . . 0.0 109.981 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.17 -29.41 38.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.594 -0.691 . . . . 0.0 110.092 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 33.7 mtp -76.5 -29.72 56.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.612 -0.68 . . . . 0.0 110.053 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -76.83 -38.65 53.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.695 -0.628 . . . . 0.0 110.042 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -67.14 -31.05 71.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.531 -0.731 . . . . 0.0 110.028 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -63.74 -45.99 87.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.54 -0.725 . . . . 0.0 110.031 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.63 -28.94 33.42 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.656 -0.652 . . . . 0.0 110.15 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -30.92 66.68 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.55 -0.719 . . . . 0.0 110.178 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.61 -29.22 20.14 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.525 -0.734 . . . . 0.0 110.094 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -76.07 -26.29 56.37 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.574 -0.704 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.9 t80 . . . . . 0 N--CA 1.498 1.952 0 O-C-N 121.491 -0.756 . . . . 0.0 110.375 -179.982 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 121.208 0.528 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt 53.02 97.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.44 -0.787 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.3 t -61.67 -170.81 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.563 -0.71 . . . . 0.0 110.101 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.8 p -81.42 -29.26 33.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.605 -0.684 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.01 -28.27 69.39 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.642 -0.661 . . . . 0.0 110.165 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.93 -28.91 55.43 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.568 -0.707 . . . . 0.0 110.169 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -79.88 -28.62 39.92 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.577 -0.702 . . . . 0.0 110.231 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -66.09 -47.66 73.51 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.563 -0.711 . . . . 0.0 110.178 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -69.98 -28.44 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.547 -0.721 . . . . 0.0 109.954 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -45.48 27.04 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.52 -0.738 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.7 m -74.37 -27.97 60.9 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.537 -0.727 . . . . 0.0 110.233 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 m -80.24 -26.01 39.28 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.549 -0.72 . . . . 0.0 110.416 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -39.76 63.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.489 -0.757 . . . . 0.0 110.061 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.82 -53.04 61.39 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.72 -0.613 . . . . 0.0 110.015 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.82 -31.54 71.78 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.597 -0.69 . . . . 0.0 109.878 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -64.5 -32.89 74.71 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.675 -0.641 . . . . 0.0 110.101 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -62.75 -61.01 2.71 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.606 -0.684 . . . . 0.0 110.553 -179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -61.45 -22.17 64.8 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.568 -0.708 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.667 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 5.0 tttt -92.63 -22.08 19.67 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.455 -0.778 . . . . 0.0 109.711 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.667 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 39.9 m80 -132.15 84.33 53.1 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.226 -0.921 . . . . 0.0 110.145 179.635 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.18 -43.3 0.75 Allowed 'Trans proline' 0 C--N 1.317 -1.094 0 O-C-N 123.471 1.248 . . . . 0.0 110.457 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -100.37 62.06 1.07 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.546 -0.721 . . . . 0.0 110.18 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.74 139.32 5.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.522 -0.736 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.2 p -88.55 175.01 7.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.617 -0.677 . . . . 0.0 110.129 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.6 p -167.63 68.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.539 -0.725 . . . . 0.0 110.226 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -58.94 -173.25 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.51 -0.744 . . . . 0.0 109.74 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -76.72 -41.27 45.81 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.79 -44.1 67.32 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.228 -0.92 . . . . 0.0 110.931 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.56 -16.7 57.52 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.619 -0.833 . . . . 0.0 110.13 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -111.83 -43.22 3.64 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.325 -0.859 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p -57.14 -21.98 36.68 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.465 -0.772 . . . . 0.0 110.076 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -86.89 -27.2 23.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.528 -0.733 . . . . 0.0 110.331 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -84.79 -39.26 18.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.512 -0.742 . . . . 0.0 110.798 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.2 p -58.53 -31.1 67.61 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.437 -0.79 . . . . 0.0 110.417 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.8 p -66.65 -31.76 72.65 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.668 -0.645 . . . . 0.0 110.033 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -65.85 -29.5 69.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.65 -0.656 . . . . 0.0 109.936 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 -100.73 -32.95 10.47 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.623 -0.673 . . . . 0.0 110.13 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -64.42 -33.15 75.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.499 -0.75 . . . . 0.0 110.063 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -78.25 -28.21 47.7 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.581 -0.699 . . . . 0.0 110.235 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.8 p -82.49 -29.8 30.29 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.544 -0.722 . . . . 0.0 110.209 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 72.6 mtp -61.72 159.46 13.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.551 -0.718 . . . . 0.0 110.157 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.8 p -117.74 -164.77 1.03 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.535 -0.728 . . . . 0.0 110.279 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.34 -20.47 63.86 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.624 -0.673 . . . . 0.0 110.631 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -69.89 -30.0 67.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.268 -0.895 . . . . 0.0 109.926 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -100.91 -39.74 7.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.609 -0.682 . . . . 0.0 110.011 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -67.81 -19.26 65.06 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.669 -0.645 . . . . 0.0 110.577 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 p -58.45 -32.06 68.37 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.303 -0.873 . . . . 0.0 110.477 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -72.62 -31.88 65.5 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.598 -0.689 . . . . 0.0 110.132 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -90.82 -28.75 17.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.569 -0.707 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -74.03 -29.09 61.75 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.543 -0.723 . . . . 0.0 110.116 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.24 -29.08 57.39 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.68 -0.637 . . . . 0.0 110.163 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.5 mmm -69.31 -35.03 75.55 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.605 -0.685 . . . . 0.0 110.076 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.74 -35.99 51.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.686 . . . . 0.0 110.061 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -67.79 -28.63 67.76 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -61.01 -47.05 88.25 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.577 -0.702 . . . . 0.0 110.056 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.95 -30.73 50.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.619 -0.676 . . . . 0.0 110.077 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -63.72 -29.32 70.56 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.542 -0.724 . . . . 0.0 110.157 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.53 -28.67 24.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.601 -0.687 . . . . 0.0 110.193 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -95.71 24.32 5.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.507 -0.746 . . . . 0.0 110.454 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.3 t80 . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.446 -0.784 . . . . 0.0 110.206 179.936 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HE3' ' CG ' ' A' ' 71' ' ' TYR . 18.0 mttp . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.124 0.488 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.402 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 49.6 mtt -139.59 114.97 9.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.509 -0.744 . . . . 0.0 110.204 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.466 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 10.6 t -84.63 177.46 8.05 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.564 -0.71 . . . . 0.0 110.169 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.2 p -69.29 -28.94 66.73 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.604 -0.685 . . . . 0.0 110.187 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -66.32 -29.05 69.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.469 -0.77 . . . . 0.0 110.142 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.08 -29.86 39.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.585 -0.697 . . . . 0.0 110.126 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 18.7 m-85 -79.6 -29.0 41.0 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.619 -0.676 . . . . 0.0 110.097 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.11 -52.15 63.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.58 -0.7 . . . . 0.0 110.065 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.94 -29.42 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.599 -0.688 . . . . 0.0 109.862 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -69.75 -34.22 73.51 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.622 -0.674 . . . . 0.0 110.056 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -84.64 -29.61 25.58 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.637 -0.664 . . . . 0.0 110.09 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 m -79.61 -29.52 41.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.704 -0.622 . . . . 0.0 110.133 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -35.44 73.68 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.614 -0.679 . . . . 0.0 109.986 179.824 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -67.14 -33.62 75.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.633 -0.667 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -95.14 22.51 6.62 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.496 -0.753 . . . . 0.0 110.535 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -105.01 -48.75 3.65 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.404 -0.81 . . . . 0.0 110.066 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -59.24 -27.44 65.78 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.622 -0.673 . . . . 0.0 110.413 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -60.01 -27.25 66.73 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.539 -0.725 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 11.8 ptpt -132.4 19.59 4.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.474 -0.766 . . . . 0.0 110.969 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 69.6 m-70 -144.13 62.32 10.16 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.374 -0.829 . . . . 0.0 110.025 179.443 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.54 -40.78 1.95 Allowed 'Trans proline' 0 C--N 1.318 -1.065 0 O-C-N 123.328 1.173 . . . . 0.0 110.485 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -99.62 39.01 1.35 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.612 -0.68 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 t -114.24 140.27 48.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.592 -0.693 . . . . 0.0 110.166 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 t -98.55 88.4 4.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.535 -0.728 . . . . 0.0 110.243 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.74 92.34 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.561 -0.712 . . . . 0.0 110.244 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 39' ' ' ALA . 18.3 p30 -93.68 48.12 1.27 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.616 -0.677 . . . . 0.0 109.282 178.884 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 59.48 -77.28 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 O-C-N 122.194 -0.316 . . . . 0.0 111.219 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -45.42 -45.23 12.69 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.452 -0.78 . . . . 0.0 112.532 -178.862 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -58.25 -21.34 47.96 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.246 -0.909 . . . . 0.0 109.938 179.35 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -109.8 -33.75 6.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.583 -0.698 . . . . 0.0 109.985 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 p -61.1 -22.16 64.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.717 -0.614 . . . . 0.0 109.874 179.391 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -84.63 -24.75 28.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.501 -0.749 . . . . 0.0 110.375 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -84.79 -41.92 15.66 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.527 -0.733 . . . . 0.0 110.802 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.3 p -58.94 -28.03 65.88 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.395 -0.816 . . . . 0.0 110.467 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -71.55 -31.41 66.98 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.545 -0.722 . . . . 0.0 110.088 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -70.63 -34.81 72.49 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.549 -0.719 . . . . 0.0 109.95 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.64 -37.53 16.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.658 -0.651 . . . . 0.0 110.068 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -62.85 -49.31 75.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.618 -0.676 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -65.27 -26.15 67.96 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.595 -0.691 . . . . 0.0 110.549 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.7 p -90.04 -22.18 21.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.504 -0.748 . . . . 0.0 110.713 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.3 mmm -57.85 143.57 41.96 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.314 -0.866 . . . . 0.0 110.399 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.3 m -83.99 162.2 20.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.469 -0.769 . . . . 0.0 110.206 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.58 -29.8 64.75 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.496 -0.753 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -75.93 -29.05 58.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.532 -0.73 . . . . 0.0 109.982 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -86.51 -34.59 19.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.563 -0.71 . . . . 0.0 110.142 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 26.98 3.77 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.514 -0.741 . . . . 0.0 110.46 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 p -85.48 -30.97 23.05 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.546 -0.721 . . . . 0.0 110.161 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -69.1 -30.03 68.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.55 -0.719 . . . . 0.0 110.091 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -84.4 -34.61 23.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.517 -0.739 . . . . 0.0 110.124 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.02 -29.4 64.15 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.578 -0.701 . . . . 0.0 110.142 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -80.32 -28.66 38.15 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.55 -0.719 . . . . 0.0 110.241 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.5 mmm -74.08 -29.83 62.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.519 -0.738 . . . . 0.0 110.082 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -83.68 -29.06 27.9 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.525 -0.734 . . . . 0.0 110.137 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -28.61 64.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.548 -0.72 . . . . 0.0 110.205 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.1 t -73.19 -29.82 63.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.584 -0.697 . . . . 0.0 110.163 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -84.72 -31.21 24.18 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.628 -0.67 . . . . 0.0 110.155 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -29.23 70.62 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.615 -0.678 . . . . 0.0 110.224 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.95 -28.5 49.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.652 -0.655 . . . . 0.0 110.229 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -61.98 -29.01 69.96 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.519 -0.738 . . . . 0.0 110.139 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.437 ' CG ' ' HE3' ' A' ' 12' ' ' LYS . 30.9 t80 . . . . . 0 N--CA 1.494 1.73 0 O-C-N 121.649 -0.657 . . . . 0.0 110.312 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.106 0.479 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -126.26 -169.31 1.99 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.61 -0.681 . . . . 0.0 110.164 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.7 t -154.82 167.3 30.72 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.602 -0.686 . . . . 0.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.4 p -72.55 -28.33 62.76 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.631 -0.668 . . . . 0.0 110.207 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -75.74 -29.13 58.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.578 -0.701 . . . . 0.0 110.166 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.62 59.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.587 -0.695 . . . . 0.0 110.163 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -78.12 -29.19 48.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.549 -0.719 . . . . 0.0 110.09 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -61.87 -47.73 83.7 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.543 -0.723 . . . . 0.0 110.059 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.9 t -72.84 -30.02 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.597 -0.689 . . . . 0.0 109.85 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -71.77 -29.0 64.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.531 -0.73 . . . . 0.0 110.197 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.8 m -94.55 -28.47 15.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.64 -0.662 . . . . 0.0 110.167 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.2 m -83.43 -35.19 25.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.501 -0.749 . . . . 0.0 110.2 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -70.99 -35.38 72.08 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.548 -0.72 . . . . 0.0 109.987 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.78 -37.75 79.92 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.476 -0.765 . . . . 0.0 109.812 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -94.62 19.77 9.43 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.636 -0.665 . . . . 0.0 110.206 179.26 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -105.1 -52.82 2.77 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.43 -0.794 . . . . 0.0 110.078 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -60.62 -32.49 71.63 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.533 -0.729 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -61.58 -25.42 67.32 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.596 -0.69 . . . . 0.0 110.426 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 2.3 ptmt -124.79 15.49 8.67 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.468 -0.77 . . . . 0.0 111.16 -179.729 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 50.5 m-70 -143.04 67.56 17.38 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.183 -0.948 . . . . 0.0 110.168 179.35 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.99 -35.98 4.83 Favored 'Trans proline' 0 C--N 1.318 -1.027 0 O-C-N 123.241 1.127 . . . . 0.0 110.406 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.99 -33.37 33.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.642 -0.662 . . . . 0.0 110.16 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -89.01 138.55 31.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.547 -0.72 . . . . 0.0 110.104 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 m -99.55 -169.55 1.77 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.605 -0.684 . . . . 0.0 110.324 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.7 p -163.65 71.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.633 -0.667 . . . . 0.0 109.927 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' ALA . 7.1 p-10 -76.4 60.63 1.59 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.494 -0.754 . . . . 0.0 110.888 -179.501 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 59.55 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.779 -0.575 . . . . 0.0 111.6 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -46.66 -49.16 19.65 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.177 -0.952 . . . . 0.0 112.245 -178.68 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -55.21 -23.41 22.01 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.28 -0.888 . . . . 0.0 109.6 178.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.454 ' HB2' HG23 ' A' ' 36' ' ' VAL . 2.8 t80 -101.59 -34.48 9.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.534 0.683 . . . . 0.0 109.83 179.247 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 p -57.79 -21.93 44.55 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.889 -0.507 . . . . 0.0 110.25 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -90.95 -24.82 20.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.641 -0.662 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -89.99 -46.91 8.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.436 -0.79 . . . . 0.0 110.989 -179.501 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -57.92 -27.63 63.53 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.379 -0.825 . . . . 0.0 110.597 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.0 p -70.19 -35.27 73.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.532 -0.73 . . . . 0.0 110.091 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.57 -33.36 75.42 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.537 -0.727 . . . . 0.0 110.101 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -86.49 -44.03 12.3 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.672 -0.642 . . . . 0.0 110.236 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -60.81 -34.62 74.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.555 -0.716 . . . . 0.0 110.13 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -78.21 -24.61 47.0 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.582 -0.699 . . . . 0.0 110.586 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.9 p -100.57 -13.61 18.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.409 -0.807 . . . . 0.0 111.165 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.79 153.59 13.52 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.261 -0.899 . . . . 0.0 110.462 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 p -92.58 176.65 6.38 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.552 -0.717 . . . . 0.0 110.276 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.51 -26.16 66.2 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.62 -0.675 . . . . 0.0 110.348 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -69.54 -29.67 67.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.45 -0.781 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -94.15 -52.0 4.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.602 -0.686 . . . . 0.0 110.081 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -56.06 -24.27 38.74 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.461 -0.774 . . . . 0.0 110.585 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.1 p -66.04 -28.04 68.55 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.501 -0.749 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -69.44 -28.58 66.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.628 -0.67 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -90.92 -28.12 18.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.579 -0.701 . . . . 0.0 110.311 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -69.75 -27.74 65.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.503 -0.748 . . . . 0.0 110.284 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -81.42 -30.43 33.54 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.531 -0.73 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.76 -31.16 66.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.502 -0.749 . . . . 0.0 110.104 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.13 -42.39 32.0 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.541 -0.724 . . . . 0.0 110.204 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -64.29 -28.82 69.98 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.584 -0.697 . . . . 0.0 110.227 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 t -65.39 -38.56 90.36 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.483 -0.76 . . . . 0.0 110.178 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -89.62 -28.5 19.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.532 -0.73 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -70.83 -28.57 64.71 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.567 -0.708 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.55 -23.96 29.49 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.516 -0.74 . . . . 0.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -58.26 -35.23 71.44 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.367 -0.833 . . . . 0.0 110.523 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.495 1.817 0 O-C-N 121.548 -0.72 . . . . 0.0 110.367 -179.978 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.058 0.456 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -129.94 -167.81 1.86 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.558 -0.714 . . . . 0.0 110.165 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.568 ' H ' ' HB3' ' A' ' 17' ' ' ALA . 6.5 t -149.97 178.11 9.23 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.521 -0.737 . . . . 0.0 110.215 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.9 p -62.35 -29.25 70.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.551 -0.718 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -81.59 -28.57 33.72 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.519 -0.738 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.568 ' HB3' ' H ' ' A' ' 14' ' ' SER . . . -79.82 -30.99 40.63 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.487 -0.758 . . . . 0.0 110.196 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.82 -29.82 61.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.56 -0.712 . . . . 0.0 110.121 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.45 -46.46 76.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.595 -0.691 . . . . 0.0 110.102 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -67.92 -30.65 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.628 -0.67 . . . . 0.0 109.846 179.745 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -65.37 -30.2 71.01 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.609 -0.682 . . . . 0.0 110.01 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -84.45 -29.17 26.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.609 -0.682 . . . . 0.0 110.14 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.5 m -84.66 -28.82 26.16 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.611 -0.681 . . . . 0.0 110.213 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -36.26 69.7 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.627 -0.671 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -69.12 -50.56 46.91 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.666 -0.646 . . . . 0.0 110.0 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -60.81 -25.94 66.95 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.585 -0.697 . . . . 0.0 110.196 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -63.21 -27.86 69.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.498 -0.751 . . . . 0.0 110.242 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -81.27 59.11 3.82 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.548 -0.72 . . . . 0.0 110.217 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -157.3 -44.18 0.07 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.611 -0.68 . . . . 0.0 109.846 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -118.81 27.74 8.71 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.702 -0.624 . . . . 0.0 110.392 179.651 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 87.0 m-70 -147.13 68.52 11.39 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.608 -0.682 . . . . 0.0 110.074 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.78 -48.74 0.28 Allowed 'Trans proline' 0 C--N 1.317 -1.126 0 O-C-N 123.297 1.156 . . . . 0.0 110.413 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -91.86 52.98 2.1 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.631 -0.668 . . . . 0.0 110.203 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.2 m -148.85 120.05 7.78 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.552 -0.718 . . . . 0.0 110.223 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -95.38 95.63 8.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.598 -0.689 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.428 ' CG2' ' CD1' ' A' ' 41' ' ' PHE . 12.7 p -85.82 146.72 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.578 -0.701 . . . . 0.0 110.345 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' HB3' ' HG2' ' A' ' 40' ' ' GLU . 6.7 t30 -123.18 -153.33 0.55 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.8 -52.5 3.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.36 -0.838 . . . . 0.0 110.031 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 42' ' ' SER . . . -71.74 -57.94 3.91 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.741 -0.6 . . . . 0.0 111.27 -179.138 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HG2' ' HB3' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -54.49 -23.39 16.1 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.207 -0.933 . . . . 0.0 109.518 179.134 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CD1' ' CG2' ' A' ' 36' ' ' VAL . 56.8 t80 -96.17 -19.91 19.0 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 121.64 -0.663 . . . . 0.0 110.386 178.496 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -65.26 -32.5 74.19 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.307 -0.87 . . . . 0.0 109.432 179.472 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -68.01 -20.31 65.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.853 -0.53 . . . . 0.0 110.716 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -84.39 -53.79 5.21 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.335 -0.853 . . . . 0.0 110.587 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -60.07 -29.04 68.29 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.545 -0.722 . . . . 0.0 110.438 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.9 p -63.11 -32.56 73.97 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.536 -0.727 . . . . 0.0 110.159 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.69 -30.37 70.6 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.546 -0.721 . . . . 0.0 110.086 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -92.68 -29.03 16.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.645 -0.66 . . . . 0.0 110.188 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -72.5 -52.34 16.16 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.52 -0.737 . . . . 0.0 110.089 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -63.03 -27.38 69.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.695 -0.628 . . . . 0.0 110.403 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.4 p -82.2 -29.45 31.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.528 -0.732 . . . . 0.0 110.268 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.5 mtp -61.6 165.32 5.09 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.541 -0.724 . . . . 0.0 110.171 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -108.16 -174.41 2.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.569 -0.707 . . . . 0.0 110.32 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.8 -21.91 62.42 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.63 -0.668 . . . . 0.0 110.586 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -68.62 -30.39 69.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.385 -0.822 . . . . 0.0 109.883 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -98.84 -41.14 7.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.655 -0.653 . . . . 0.0 109.949 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -65.01 -21.58 66.87 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.63 -0.669 . . . . 0.0 110.512 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 p -67.42 -31.23 71.29 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.424 -0.797 . . . . 0.0 110.336 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -66.15 -28.94 69.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.567 -0.708 . . . . 0.0 110.173 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -91.44 -28.47 17.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.588 -0.695 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -79.26 -28.51 42.37 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.591 -0.693 . . . . 0.0 110.248 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.16 -28.68 42.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.595 -0.69 . . . . 0.0 110.254 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.9 mmt -82.81 -28.84 29.96 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.551 -0.718 . . . . 0.0 110.126 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.88 -45.82 40.35 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.562 -0.711 . . . . 0.0 110.168 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -69.21 -28.32 66.26 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.629 -0.669 . . . . 0.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -28.82 69.39 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.551 -0.718 . . . . 0.0 110.172 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -102.83 -29.9 11.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.565 -0.709 . . . . 0.0 110.172 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -68.1 -30.56 69.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.636 -0.665 . . . . 0.0 110.227 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.66 -28.76 63.96 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.565 -0.709 . . . . 0.0 110.178 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -65.92 -28.95 69.3 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.621 -0.675 . . . . 0.0 110.152 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.496 1.86 0 O-C-N 121.474 -0.766 . . . . 0.0 110.141 179.995 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 121.079 0.466 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.9 mtt -132.27 -170.94 2.52 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.661 -0.65 . . . . 0.0 110.235 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.526 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.8 t -153.56 178.7 9.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.555 -0.715 . . . . 0.0 110.214 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.6 p -68.65 -28.7 67.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.58 -0.7 . . . . 0.0 110.19 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -77.49 -28.71 52.28 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.599 -0.688 . . . . 0.0 110.132 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.07 -31.9 50.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.532 -0.73 . . . . 0.0 110.188 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.69 -28.96 33.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.607 -0.683 . . . . 0.0 110.147 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.69 -41.9 95.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.658 -0.652 . . . . 0.0 110.169 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.15 -29.8 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.633 -0.667 . . . . 0.0 109.919 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.36 -46.11 28.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.706 . . . . 0.0 110.179 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.8 m -66.3 -27.75 68.16 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.535 -0.728 . . . . 0.0 110.253 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -86.05 -28.33 24.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.529 -0.732 . . . . 0.0 110.382 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -39.11 63.72 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.604 -0.685 . . . . 0.0 110.115 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.16 -41.08 97.96 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.536 -0.727 . . . . 0.0 109.926 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.32 -17.56 56.4 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.628 -0.67 . . . . 0.0 110.709 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -64.62 -47.8 77.26 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.343 -0.848 . . . . 0.0 110.292 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -60.24 -27.78 67.5 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.748 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -64.29 -27.25 68.91 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.509 -0.745 . . . . 0.0 110.404 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.596 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -125.26 17.46 8.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.531 -0.731 . . . . 0.0 110.964 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 38.0 m80 -145.79 66.47 11.85 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.314 -0.866 . . . . 0.0 110.005 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.83 -31.13 10.6 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 O-C-N 123.261 1.137 . . . . 0.0 110.498 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -104.77 53.08 0.73 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.53 -0.732 . . . . 0.0 110.337 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 t -168.39 134.94 1.95 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.508 -0.745 . . . . 0.0 110.389 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.8 t -89.43 179.97 5.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.605 -0.684 . . . . 0.0 109.932 179.737 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.633 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.9 p -168.13 89.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.466 -0.771 . . . . 0.0 110.712 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -70.95 -168.2 0.26 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.348 -0.845 . . . . 0.0 109.459 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -80.79 -48.3 12.67 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.361 -0.837 . . . . 0.0 110.202 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.49 -40.42 73.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.267 -0.895 . . . . 0.0 110.618 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -63.26 -16.35 59.99 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.066 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -114.41 -46.13 2.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.313 -0.867 . . . . 0.0 110.752 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.0 p -55.05 -24.13 23.48 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.518 -0.739 . . . . 0.0 110.138 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -30.48 64.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.584 -0.697 . . . . 0.0 109.563 179.205 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.22 -39.08 16.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.636 -0.665 . . . . 0.0 110.165 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.9 m -61.59 -29.1 69.82 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.489 -0.757 . . . . 0.0 110.015 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.3 p -66.18 -31.84 72.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.535 -0.728 . . . . 0.0 110.022 179.663 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -67.29 -29.3 68.86 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.637 -0.664 . . . . 0.0 110.0 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' HG22 ' A' ' 51' ' ' THR . 36.8 ttt180 -91.07 -42.61 10.4 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.567 -0.708 . . . . 0.0 109.997 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.428 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 75.8 t-105 -64.51 -28.49 69.69 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.562 -0.711 . . . . 0.0 110.113 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -75.09 -24.23 58.1 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.552 -0.718 . . . . 0.0 110.544 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 48' ' ' ARG . 8.7 t -102.29 -21.43 14.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.495 -0.753 . . . . 0.0 110.81 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 58.2 mtp -56.66 146.63 24.92 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.8 p -93.69 -177.11 4.27 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.608 -0.683 . . . . 0.0 110.417 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.48 -22.85 62.62 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.663 -0.648 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -67.31 -30.57 70.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.355 -0.841 . . . . 0.0 109.773 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -98.34 -43.07 7.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.744 -0.598 . . . . 0.0 109.905 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 30.8 mtpt -65.88 -21.8 66.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.599 -0.688 . . . . 0.0 110.343 179.696 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 p -63.1 -31.62 72.81 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.392 -0.817 . . . . 0.0 110.306 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -64.26 -29.62 70.71 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.572 -0.705 . . . . 0.0 110.189 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -91.14 -28.67 17.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.524 -0.735 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.79 -28.68 62.73 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.526 -0.734 . . . . 0.0 110.236 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.03 -28.72 57.82 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.582 -0.698 . . . . 0.0 110.149 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.8 mtt -80.74 -28.72 36.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.509 -0.745 . . . . 0.0 110.156 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.75 -32.13 46.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.557 -0.715 . . . . 0.0 110.142 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -75.19 -29.07 60.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 0.0 110.157 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.6 t -70.74 -30.12 66.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.616 -0.677 . . . . 0.0 110.019 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -84.16 -29.43 26.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.599 -0.688 . . . . 0.0 110.103 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -70.64 -32.46 69.78 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.604 -0.685 . . . . 0.0 110.096 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.68 -31.43 24.13 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.562 -0.711 . . . . 0.0 110.135 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -65.86 -23.13 66.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.6 -0.688 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 N--CA 1.499 2.012 0 O-C-N 121.473 -0.767 . . . . 0.0 110.53 -179.94 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.088 0.47 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.439 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -147.28 113.43 5.85 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.588 -0.695 . . . . 0.0 110.34 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.507 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 7.1 t -72.0 178.56 3.69 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.479 -0.763 . . . . 0.0 110.17 -179.871 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.6 p -63.53 -31.4 72.55 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.666 -0.646 . . . . 0.0 110.179 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -64.6 -28.99 70.0 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.574 -0.704 . . . . 0.0 110.201 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.52 -29.69 59.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.601 -0.687 . . . . 0.0 110.065 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 13' ' ' MET . 11.1 m-85 -79.58 -28.79 41.1 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.579 -0.701 . . . . 0.0 110.218 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -64.09 -47.26 80.73 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.558 -0.714 . . . . 0.0 110.172 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.33 -28.87 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.581 -0.699 . . . . 0.0 110.097 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -77.01 -34.9 57.37 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.513 -0.742 . . . . 0.0 110.235 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.0 m -83.8 -29.15 27.6 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.559 -0.713 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.3 m -83.22 -30.25 27.87 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.586 -0.696 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -62.74 -43.79 97.89 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.546 -0.721 . . . . 0.0 110.06 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -65.57 -32.0 73.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.551 -0.718 . . . . 0.0 109.998 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -95.99 25.06 5.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.613 -0.679 . . . . 0.0 110.31 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -105.13 -45.68 4.45 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.455 -0.778 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.31 -27.01 66.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.591 -0.693 . . . . 0.0 110.404 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -60.92 -26.39 67.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.589 -0.695 . . . . 0.0 110.515 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.587 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 1.3 ptmt -132.8 20.95 4.19 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.472 -0.767 . . . . 0.0 110.983 -179.848 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.587 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 38.4 m80 -145.05 63.69 10.32 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.335 -0.853 . . . . 0.0 110.138 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.04 -37.43 3.51 Favored 'Trans proline' 0 C--N 1.318 -1.063 0 O-C-N 123.353 1.186 . . . . 0.0 110.311 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -83.73 -31.08 26.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.642 -0.662 . . . . 0.0 110.16 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.8 t -90.54 132.37 35.74 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.65 -0.656 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p -95.76 -167.48 1.61 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.585 -0.697 . . . . 0.0 110.167 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.1 p -166.46 103.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.627 -0.67 . . . . 0.0 110.082 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -105.79 51.56 0.75 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.303 -0.873 . . . . 0.0 110.573 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 65.44 -62.78 0.22 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.866 -0.521 . . . . 0.0 111.287 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.13 90.83 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.043 -1.035 . . . . 0.0 111.049 -178.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.67 -18.38 41.67 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.412 -0.805 . . . . 0.0 110.017 179.158 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.612 ' HB2' HG23 ' A' ' 36' ' ' VAL . 2.1 t80 -107.2 -46.0 3.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.464 -0.773 . . . . 0.0 110.745 -179.775 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.2 p -55.22 -25.4 32.91 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.703 -0.623 . . . . 0.0 110.386 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -83.6 -28.42 28.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.568 -0.708 . . . . 0.0 109.961 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.94 -45.22 8.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.556 -0.715 . . . . 0.0 110.4 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.6 m -59.61 -25.69 64.85 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.637 -0.665 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.8 p -69.4 -37.59 77.55 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.495 -0.753 . . . . 0.0 109.724 179.421 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.6 -42.03 95.84 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.638 -0.663 . . . . 0.0 109.685 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -78.42 -39.29 39.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.679 -0.638 . . . . 0.0 109.769 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.429 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 72.5 t-105 -62.09 -51.3 68.5 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.575 -0.703 . . . . 0.0 109.63 179.607 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -61.95 -25.43 67.59 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.588 -0.695 . . . . 0.0 110.418 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -97.66 -12.52 22.31 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.471 -0.768 . . . . 0.0 110.991 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 mmm -56.92 170.86 0.39 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.229 -0.92 . . . . 0.0 110.558 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -102.98 166.08 10.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.575 -0.703 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.98 -18.5 65.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.671 -0.643 . . . . 0.0 110.783 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -73.25 -29.9 63.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.33 -0.856 . . . . 0.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -98.97 -37.14 9.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.667 -0.646 . . . . 0.0 110.102 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 27.1 mtmt -71.58 -21.91 61.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.628 -0.67 . . . . 0.0 110.457 179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.9 p -69.84 -29.3 66.52 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.429 -0.794 . . . . 0.0 110.388 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -66.45 -28.65 68.76 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.568 -0.708 . . . . 0.0 110.245 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -93.76 -28.51 15.88 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.541 -0.725 . . . . 0.0 110.341 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -71.7 -27.96 63.38 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.498 -0.751 . . . . 0.0 110.337 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.5 -27.57 46.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.54 -0.725 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 50.3 mtt -82.19 -27.68 32.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.572 -0.705 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -79.93 -28.16 39.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.563 -0.71 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -72.78 -28.05 62.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.412 -0.805 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -61.62 -54.54 41.59 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.516 -0.74 . . . . 0.0 110.247 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.85 -31.89 72.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.62 -0.675 . . . . 0.0 110.356 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -64.91 -28.11 69.31 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.563 -0.711 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.95 -28.41 14.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.62 -0.675 . . . . 0.0 110.351 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -79.32 -27.45 42.1 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.608 -0.682 . . . . 0.0 110.345 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.6 t80 . . . . . 0 N--CA 1.497 1.899 0 O-C-N 121.53 -0.731 . . . . 0.0 110.283 -179.969 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mttp . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.083 0.468 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 mmt -103.83 -166.34 1.25 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.547 -0.721 . . . . 0.0 110.086 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.529 ' H ' ' HB3' ' A' ' 17' ' ' ALA . 3.4 t -157.45 179.24 9.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.583 -0.698 . . . . 0.0 110.124 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.6 p -58.76 -27.59 65.11 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.586 -0.696 . . . . 0.0 110.482 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -79.25 -28.94 42.41 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.641 -0.662 . . . . 0.0 110.216 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.529 ' HB3' ' H ' ' A' ' 14' ' ' SER . . . -80.08 -36.8 34.99 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.587 -0.695 . . . . 0.0 110.276 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -70.27 -29.25 65.98 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.502 -0.749 . . . . 0.0 110.071 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -62.87 -45.5 92.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.576 -0.702 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -76.99 -34.04 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.527 -0.733 . . . . 0.0 109.918 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.99 -37.44 81.48 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.59 -0.694 . . . . 0.0 110.117 179.845 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.1 m -81.34 -28.72 34.39 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.604 -0.685 . . . . 0.0 110.145 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.7 m -79.57 -25.43 41.6 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.582 -0.699 . . . . 0.0 110.375 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -75.6 -46.94 28.85 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.549 -0.72 . . . . 0.0 109.977 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -59.47 -26.91 65.64 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.545 -0.722 . . . . 0.0 110.43 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -87.96 -24.75 23.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.588 -0.695 . . . . 0.0 110.342 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -66.73 -46.75 74.46 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.419 -0.801 . . . . 0.0 110.191 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -61.31 -30.08 70.27 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.59 -0.694 . . . . 0.0 110.496 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -60.8 -27.09 67.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.574 -0.704 . . . . 0.0 110.41 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -125.98 17.87 7.87 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.478 -0.764 . . . . 0.0 111.02 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.595 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 38.0 m80 -145.22 74.51 14.17 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.311 -0.868 . . . . 0.0 110.109 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.9 -38.67 2.8 Favored 'Trans proline' 0 C--N 1.316 -1.154 0 O-C-N 123.321 1.169 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.66 48.75 0.9 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.564 -0.71 . . . . 0.0 110.224 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.67 106.84 0.98 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.512 -0.743 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.707 ' O ' HG13 ' A' ' 36' ' ' VAL . 58.2 m -74.22 -168.52 0.65 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.579 -0.701 . . . . 0.0 110.191 179.843 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -168.11 91.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.634 -0.666 . . . . 0.0 110.798 -179.433 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -63.64 144.69 56.81 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.18 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -53.73 -36.27 62.11 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.108 -0.995 . . . . 0.0 110.658 -178.672 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.26 -44.05 48.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.237 -0.914 . . . . 0.0 109.944 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.4 -16.51 60.72 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.709 178.687 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -109.64 -48.88 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.345 -0.847 . . . . 0.0 111.303 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.3 p -53.65 -25.91 20.01 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.205 -0.934 . . . . 0.0 110.374 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -33.34 64.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.61 -0.681 . . . . 0.0 109.459 179.19 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -82.32 -34.62 28.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.724 -0.61 . . . . 0.0 109.889 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.2 m -61.94 -29.65 70.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.688 -0.632 . . . . 0.0 109.938 179.701 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.5 p -61.53 -35.26 77.25 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.603 -0.686 . . . . 0.0 109.945 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -63.76 -31.37 72.52 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.629 -0.669 . . . . 0.0 109.732 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' HA ' ' HG1' ' A' ' 51' ' ' THR . 1.1 ttt-85 -92.08 -33.96 14.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.668 -0.645 . . . . 0.0 109.983 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.431 ' CH2' ' HG2' ' A' ' 57' ' ' LYS . 72.6 t-105 -68.61 -36.93 79.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.678 -0.639 . . . . 0.0 109.976 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -27.77 54.39 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.698 -0.626 . . . . 0.0 110.276 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.413 ' HG1' ' HA ' ' A' ' 48' ' ' ARG . 43.0 p -87.09 -26.32 23.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.576 -0.703 . . . . 0.0 110.449 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.3 mtp -59.46 158.78 9.05 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.505 -0.747 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.8 m -101.86 -172.62 2.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.495 -0.753 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.77 -11.72 60.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.524 -0.735 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -73.21 -30.33 63.44 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.179 -0.95 . . . . 0.0 109.882 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -101.64 -39.9 7.25 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.678 -0.639 . . . . 0.0 109.963 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 11.5 mtpp -66.25 -25.73 67.02 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.671 -0.643 . . . . 0.0 110.266 179.827 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.6 p -62.81 -40.59 97.84 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.427 -0.796 . . . . 0.0 110.347 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -62.3 -37.77 86.82 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.576 -0.702 . . . . 0.0 110.266 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -74.61 -31.33 61.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.513 -0.742 . . . . 0.0 110.132 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -82.93 -28.53 29.82 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.567 -0.708 . . . . 0.0 110.184 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.87 -28.3 64.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.504 -0.747 . . . . 0.0 110.207 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.8 mtp -83.92 -28.58 27.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.563 -0.711 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.92 -38.77 64.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.512 -0.743 . . . . 0.0 110.215 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -66.66 -28.67 68.65 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.512 -0.742 . . . . 0.0 110.172 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.6 t -63.9 -38.33 90.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.632 -0.667 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -92.02 -28.42 17.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.594 -0.691 . . . . 0.0 110.303 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -68.32 -28.32 67.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.55 -0.719 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.27 64.79 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.538 -0.726 . . . . 0.0 110.202 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -62.03 -28.38 69.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.47 -0.769 . . . . 0.0 110.249 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.577 -0.702 . . . . 0.0 110.252 -179.993 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 mttt . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.046 0.451 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.99 -168.76 1.97 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.613 -0.679 . . . . 0.0 110.12 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.452 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.9 t -156.54 -179.01 7.77 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.582 -0.699 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -76.71 -28.72 55.95 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.583 -0.698 . . . . 0.0 110.115 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -77.07 -28.78 54.76 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.633 -0.667 . . . . 0.0 110.138 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.38 -30.52 42.56 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.615 -0.678 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -73.84 -29.54 62.18 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.601 -0.687 . . . . 0.0 109.972 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.457 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 27.3 t80 -61.93 -55.2 32.04 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.662 -0.648 . . . . 0.0 110.082 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.73 -29.69 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.545 -0.722 . . . . 0.0 109.677 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.63 -50.86 61.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.59 -0.693 . . . . 0.0 109.746 179.644 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 56.6 m -69.82 -33.25 72.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.576 -0.703 . . . . 0.0 109.764 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 70.5 m -75.55 -29.55 59.42 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.665 -0.647 . . . . 0.0 109.749 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -66.88 -46.55 74.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.603 -0.686 . . . . 0.0 109.805 179.542 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -60.97 -32.02 71.59 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.557 -0.714 . . . . 0.0 109.472 179.297 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -72.02 -13.54 61.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.736 -0.602 . . . . 0.0 110.255 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.447 ' HA ' ' ND1' ' A' ' 31' ' ' HIS . 72.6 t60 -95.01 26.19 3.78 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.369 -0.832 . . . . 0.0 109.974 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -112.33 29.15 8.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.149 -0.97 . . . . 0.0 110.293 179.381 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -122.03 -82.21 0.65 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.438 -0.789 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -93.26 49.56 1.42 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.146 -0.971 . . . . 0.0 109.759 179.599 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.48 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 32.5 m80 -142.11 53.32 3.03 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.62 -0.675 . . . . 0.0 109.861 -179.419 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.6 Cg_endo -73.23 -49.03 0.24 Allowed 'Trans proline' 0 C--N 1.318 -1.035 0 O-C-N 123.268 1.141 . . . . 0.0 110.51 -179.674 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -97.16 36.24 1.47 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.616 -0.677 . . . . 0.0 110.202 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.9 m -141.86 86.09 1.97 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.585 -0.697 . . . . 0.0 110.218 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' HG13 ' A' ' 36' ' ' VAL . 20.7 m -71.93 171.85 11.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.59 -0.694 . . . . 0.0 110.131 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 36' ' ' VAL . 34.8 m -146.21 105.79 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.561 -179.357 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -92.08 50.12 1.62 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.442 -0.786 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 67.33 -57.83 0.43 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.687 -0.633 . . . . 0.0 110.712 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.57 85.35 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.834 -1.166 . . . . 0.0 110.775 -179.773 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -59.97 -18.01 42.45 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.477 -0.764 . . . . 0.0 110.403 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 23' ' ' SER . 14.0 t80 -112.09 -47.44 3.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.376 -0.828 . . . . 0.0 110.772 -179.682 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -54.47 -25.59 26.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.61 -0.681 . . . . 0.0 110.312 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -69.06 -29.8 68.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.633 -0.667 . . . . 0.0 109.617 179.3 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.65 -44.67 9.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.718 -0.614 . . . . 0.0 110.141 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.6 m -61.55 -29.16 69.83 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.61 -0.681 . . . . 0.0 110.033 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.5 p -66.44 -33.94 76.82 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.498 -0.751 . . . . 0.0 109.919 179.582 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -66.71 -34.4 77.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.685 -0.634 . . . . 0.0 109.849 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -89.06 -36.96 15.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.581 -0.7 . . . . 0.0 110.009 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.457 ' CE3' ' CD1' ' A' ' 19' ' ' PHE . 63.0 t-105 -63.04 -47.3 83.6 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.594 -0.691 . . . . 0.0 109.957 179.76 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -65.7 -28.33 68.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.572 -0.705 . . . . 0.0 110.214 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -95.9 -8.79 33.03 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.489 -0.757 . . . . 0.0 111.077 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.499 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 2.5 mmm -58.33 163.74 2.86 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.101 -0.999 . . . . 0.0 110.411 -179.915 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -93.81 168.09 11.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.624 -0.673 . . . . 0.0 110.32 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -23.68 65.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.577 -0.702 . . . . 0.0 110.444 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -69.21 -30.94 69.22 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.452 -0.78 . . . . 0.0 109.91 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 25.0 mt-10 -95.05 -40.41 9.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.773 -0.579 . . . . 0.0 109.976 179.828 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -67.25 -21.23 65.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.69 -0.632 . . . . 0.0 110.438 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 p -78.1 -30.15 49.36 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.357 -0.84 . . . . 0.0 110.369 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -65.08 -28.96 69.82 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.599 -0.688 . . . . 0.0 110.258 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -86.22 -28.88 23.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.653 -0.654 . . . . 0.0 110.188 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -73.39 -29.34 62.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.663 -0.648 . . . . 0.0 110.187 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.5 -28.47 61.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.662 -0.648 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.2 mmt -83.36 -29.64 28.06 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.524 -0.735 . . . . 0.0 110.224 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.07 -37.35 46.77 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.525 -0.734 . . . . 0.0 110.214 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -66.1 -30.11 70.55 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.574 -0.704 . . . . 0.0 110.107 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.1 t -62.87 -35.01 78.58 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.56 -0.713 . . . . 0.0 110.073 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -86.08 -38.74 17.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.579 -0.701 . . . . 0.0 110.171 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -30.27 70.97 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.572 -0.705 . . . . 0.0 110.149 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.35 -27.83 25.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.589 -0.695 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -95.76 23.49 6.19 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.525 -0.734 . . . . 0.0 110.564 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.5 t80 . . . . . 0 N--CA 1.494 1.766 0 O-C-N 121.37 -0.831 . . . . 0.0 110.444 179.895 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.2 mttp . . . . . 0 N--CA 1.503 2.188 0 CA-C-O 121.046 0.45 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.433 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 38.1 mtp -134.69 122.61 22.45 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.551 -0.718 . . . . 0.0 110.127 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -96.58 179.27 5.06 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.566 -0.709 . . . . 0.0 110.207 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.5 p -69.9 -28.72 65.85 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.637 -0.664 . . . . 0.0 110.213 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -72.21 -28.91 63.48 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.536 -0.727 . . . . 0.0 110.176 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.05 -30.08 58.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.521 -0.737 . . . . 0.0 110.143 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 15.4 m-85 -79.25 -28.66 42.43 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.561 -0.712 . . . . 0.0 110.178 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.06 -50.8 66.98 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.618 -0.676 . . . . 0.0 110.13 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.0 t -72.73 -35.54 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.563 -0.71 . . . . 0.0 109.966 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -45.86 78.13 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.454 -0.779 . . . . 0.0 110.129 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.7 m -70.85 -28.96 64.97 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.566 -0.709 . . . . 0.0 110.113 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.411 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 49.5 m -87.51 4.22 44.35 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.621 -0.674 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.29 -45.58 8.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.184 -0.948 . . . . 0.0 109.939 179.837 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.66 -37.9 83.09 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.615 -0.678 . . . . 0.0 109.796 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 23' ' ' SER . 6.2 pt-20 -67.73 -23.84 65.3 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.682 -0.636 . . . . 0.0 110.239 179.534 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.91 -27.75 64.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.509 -0.744 . . . . 0.0 110.122 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -82.19 4.72 22.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.473 -0.767 . . . . 0.0 111.268 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -100.44 -17.0 17.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.093 -1.005 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -135.58 22.97 3.4 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.277 -0.889 . . . . 0.0 111.049 -179.667 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 82.7 m-70 -145.73 84.98 7.97 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.324 -0.86 . . . . 0.0 110.354 179.717 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.77 -29.24 10.72 Favored 'Trans proline' 0 C--N 1.316 -1.181 0 O-C-N 123.503 1.265 . . . . 0.0 110.395 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -124.1 54.06 1.37 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.549 -0.72 . . . . 0.0 110.443 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.7 97.47 2.37 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.526 -0.734 . . . . 0.0 110.191 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.446 ' C ' HG13 ' A' ' 36' ' ' VAL . 22.7 t -82.72 170.95 14.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.611 -0.68 . . . . 0.0 110.66 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 36' ' ' VAL . 35.9 m -147.52 107.39 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-O 121.251 0.548 . . . . 0.0 110.338 -179.415 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 2.0 p-10 -88.67 53.3 2.67 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.411 -0.806 . . . . 0.0 110.224 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 64.45 -61.58 0.19 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 122.063 -0.398 . . . . 0.0 111.493 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.17 89.72 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.005 -1.06 . . . . 0.0 111.154 -179.03 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.24 -15.24 59.67 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.316 -0.865 . . . . 0.0 110.432 179.639 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -117.62 -45.85 2.68 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 0.0 110.439 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.4 p -55.87 -24.73 38.79 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.602 -0.686 . . . . 0.0 110.092 179.225 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -67.98 -29.8 68.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.576 -0.703 . . . . 0.0 109.694 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -88.74 -38.3 14.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.73 -0.606 . . . . 0.0 110.225 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.9 m -63.42 -29.62 70.89 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.546 -0.721 . . . . 0.0 110.005 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -67.08 -34.85 78.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.546 -0.721 . . . . 0.0 109.897 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -66.01 -33.29 75.47 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.563 -0.71 . . . . 0.0 109.87 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -88.34 -38.68 14.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.623 -0.673 . . . . 0.0 110.017 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -61.88 -52.41 64.22 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.603 -0.685 . . . . 0.0 110.037 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -62.83 -26.06 68.57 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.579 -0.701 . . . . 0.0 110.523 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.3 p -95.13 -14.44 24.18 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.525 -0.735 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mmm -56.47 162.74 2.03 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.154 -0.966 . . . . 0.0 110.582 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -91.17 176.0 6.74 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.536 -0.728 . . . . 0.0 110.45 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.09 -24.72 60.69 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.662 -0.649 . . . . 0.0 110.359 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -68.18 -31.88 71.73 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.495 -0.753 . . . . 0.0 109.759 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -92.82 -39.22 11.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.673 -0.642 . . . . 0.0 109.92 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -63.25 -22.8 67.1 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.69 -0.631 . . . . 0.0 110.328 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.0 p -77.88 -30.87 50.99 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.411 -0.805 . . . . 0.0 110.281 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -62.42 -29.71 70.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.525 -0.734 . . . . 0.0 110.201 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -89.74 -28.92 19.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.555 -0.716 . . . . 0.0 110.204 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.23 -28.85 47.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.517 -0.74 . . . . 0.0 110.208 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.53 -29.02 63.22 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.556 -0.715 . . . . 0.0 110.164 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 49.1 mmm -82.75 -29.7 29.53 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.581 -0.699 . . . . 0.0 110.144 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.64 -33.7 31.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.475 -0.766 . . . . 0.0 110.071 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -66.37 -33.95 76.88 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.566 -0.709 . . . . 0.0 110.092 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.6 t -69.73 -30.55 68.19 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.601 -0.687 . . . . 0.0 110.109 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.93 -35.06 29.52 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.598 -0.689 . . . . 0.0 110.114 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -40.26 87.86 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.622 -0.674 . . . . 0.0 110.329 179.914 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.26 -44.91 62.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.573 -0.704 . . . . 0.0 109.938 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -65.55 -14.16 60.49 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.681 -0.637 . . . . 0.0 110.617 179.672 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.21 -0.931 . . . . 0.0 110.562 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.227 0.536 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.6 mtm 53.88 -177.32 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.466 -0.771 . . . . 0.0 110.709 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.449 ' H ' ' HB3' ' A' ' 17' ' ' ALA . 6.5 t -146.48 -179.56 6.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.628 -0.67 . . . . 0.0 110.207 -179.852 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.3 p -59.48 -29.16 67.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.562 -0.711 . . . . 0.0 110.435 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -75.82 -40.94 54.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.48 -0.763 . . . . 0.0 110.101 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB3' ' H ' ' A' ' 14' ' ' SER . . . -68.27 -34.43 76.17 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.541 -0.724 . . . . 0.0 110.007 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -73.7 -29.01 62.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.616 -0.678 . . . . 0.0 110.02 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -61.73 -55.61 28.46 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.569 -0.707 . . . . 0.0 110.079 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.78 -31.09 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.522 -0.736 . . . . 0.0 109.57 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -68.89 -47.47 65.78 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.599 -0.688 . . . . 0.0 109.792 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 m -77.78 -31.71 52.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.675 -0.64 . . . . 0.0 109.74 179.568 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.5 m -70.49 -31.08 68.05 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.608 -0.683 . . . . 0.0 109.822 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -69.93 -42.86 72.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.661 -0.65 . . . . 0.0 109.535 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -63.19 -36.25 83.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.659 -0.65 . . . . 0.0 109.288 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.76 -21.57 66.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.727 -0.608 . . . . 0.0 109.869 179.049 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 63.7 t60 -95.07 34.91 1.32 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.437 -0.789 . . . . 0.0 109.939 179.614 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -120.04 27.16 8.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.083 -1.011 . . . . 0.0 110.408 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.66 -80.61 0.63 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.477 -0.764 . . . . 0.0 110.193 179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -93.39 51.27 1.59 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.284 -0.885 . . . . 0.0 109.846 179.633 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 32.2 m80 -143.15 53.35 2.56 Favored Pre-proline 0 N--CA 1.494 1.737 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.875 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 47.4 Cg_endo -72.86 -49.23 0.25 Allowed 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.285 1.15 . . . . 0.0 110.563 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -87.86 -27.51 22.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.643 -0.661 . . . . 0.0 110.408 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.1 t -76.96 85.52 3.49 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.545 -0.722 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.426 ' C ' HG13 ' A' ' 36' ' ' VAL . 14.4 t -72.5 175.09 6.58 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.523 -0.736 . . . . 0.0 110.195 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 36' ' ' VAL . 29.1 m -146.62 79.95 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.749 -179.245 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 39' ' ' ALA . 4.3 p-10 -71.98 63.6 0.49 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.437 -0.789 . . . . 0.0 110.184 179.561 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 56.86 -81.21 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.766 -0.584 . . . . 0.0 111.565 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -44.12 -45.91 8.41 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.329 -0.857 . . . . 0.0 112.826 -178.521 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -20.89 51.12 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.262 -0.899 . . . . 0.0 110.14 179.522 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -110.27 -39.57 4.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.462 -0.774 . . . . 0.0 109.928 179.396 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 p -56.85 -23.46 44.37 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.408 0.623 . . . . 0.0 109.971 179.304 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -88.91 -27.65 20.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.606 -0.684 . . . . 0.0 110.266 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -85.05 -37.45 20.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.566 -0.708 . . . . 0.0 110.778 -179.62 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.7 p -58.83 -30.11 67.41 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.382 -0.824 . . . . 0.0 110.305 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.5 p -69.49 -40.1 77.24 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.59 -0.694 . . . . 0.0 109.956 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 51' ' ' THR . 5.4 mm-40 -63.99 -32.77 74.43 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.519 -0.738 . . . . 0.0 109.799 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -83.57 -39.66 20.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.585 -0.697 . . . . 0.0 110.046 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -69.49 -36.45 76.53 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.623 -0.673 . . . . 0.0 109.953 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -71.77 -29.45 64.5 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.61 -0.681 . . . . 0.0 110.006 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 47' ' ' GLU . 22.7 p -83.46 -27.31 29.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.613 -0.679 . . . . 0.0 110.235 179.904 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.6 mmm -59.73 147.44 37.77 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.48 -0.763 . . . . 0.0 110.271 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.1 m -100.03 -177.48 3.55 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.615 -0.678 . . . . 0.0 110.297 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.54 -22.69 64.49 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.6 -0.687 . . . . 0.0 110.631 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -69.17 -30.29 68.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.438 -0.789 . . . . 0.0 109.92 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -99.39 -42.36 7.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.718 -0.614 . . . . 0.0 109.96 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -63.24 -22.45 66.88 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.668 -0.645 . . . . 0.0 110.449 179.758 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.1 p -60.97 -29.93 69.96 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.512 -0.743 . . . . 0.0 110.331 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -65.88 -29.25 69.66 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.565 -0.709 . . . . 0.0 110.162 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -92.39 -28.48 16.86 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.579 -0.701 . . . . 0.0 110.206 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -71.98 -29.32 64.12 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.538 -0.726 . . . . 0.0 110.161 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -78.47 -27.98 46.41 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.641 -0.662 . . . . 0.0 110.245 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 96.1 mtp -77.94 -28.61 49.64 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.551 -0.718 . . . . 0.0 110.229 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.38 -29.09 37.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.508 -0.745 . . . . 0.0 110.211 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -77.26 -29.18 53.81 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.562 -0.711 . . . . 0.0 110.206 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -63.58 -36.02 82.41 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.626 -0.671 . . . . 0.0 110.129 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -82.23 -36.37 27.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.61 -0.681 . . . . 0.0 110.158 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.74 -29.96 70.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.587 -0.696 . . . . 0.0 110.174 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.53 -30.01 19.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.571 -0.705 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -77.65 -29.12 51.49 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.504 -0.747 . . . . 0.0 110.228 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.5 t80 . . . . . 0 N--CA 1.496 1.853 0 O-C-N 121.473 -0.767 . . . . 0.0 110.286 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.121 0.486 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.5 90.99 0.11 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -103.19 -67.63 0.87 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.543 -0.975 . . . . 0.0 110.179 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.82 124.04 8.38 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.24 159.35 63.0 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.58 -0.953 . . . . 0.0 110.322 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -73.29 -43.0 0.77 Allowed 'Trans proline' 0 C--N 1.316 -1.18 0 O-C-N 123.408 1.214 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.28 -40.52 2.25 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.072 0.463 . . . . 0.0 110.238 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -61.31 161.92 16.29 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.536 -0.728 . . . . 0.0 110.12 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.68 -176.31 2.24 Favored 'Trans proline' 0 C--N 1.317 -1.081 0 O-C-N 123.374 1.197 . . . . 0.0 110.462 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -97.84 179.34 4.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.614 -0.679 . . . . 0.0 110.234 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.58 -162.96 4.52 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -104.43 -167.93 1.42 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.568 -0.96 . . . . 0.0 110.244 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.19 -159.46 0.72 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.53 -0.731 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.7 t -161.86 177.86 9.46 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.579 -0.701 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.1 p -77.31 -28.87 53.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.64 -0.662 . . . . 0.0 110.132 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.63 -29.99 70.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.627 -0.67 . . . . 0.0 110.113 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.87 -38.16 46.58 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.59 -0.693 . . . . 0.0 110.021 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.51 -28.46 67.85 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.606 -0.684 . . . . 0.0 110.116 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.94 -53.33 58.57 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.559 -0.713 . . . . 0.0 110.057 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.7 -29.54 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.607 -0.683 . . . . 0.0 109.765 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.42 -35.3 68.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.558 -0.713 . . . . 0.0 109.952 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 m -85.23 -32.28 22.71 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.613 -0.679 . . . . 0.0 110.082 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.9 m -75.01 -30.49 61.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.604 -0.685 . . . . 0.0 109.992 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -35.69 63.58 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.621 -0.674 . . . . 0.0 109.985 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.92 -27.19 68.0 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.569 -0.707 . . . . 0.0 110.163 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -95.18 24.2 5.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.52 -0.738 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -105.04 -43.73 4.97 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.42 -0.8 . . . . 0.0 110.106 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -58.54 -25.14 62.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -59.1 -27.08 65.24 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.478 -0.764 . . . . 0.0 110.445 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -138.23 23.71 2.76 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.57 -0.706 . . . . 0.0 110.68 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.61 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 38.3 m80 -146.15 68.61 12.63 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.432 -0.792 . . . . 0.0 109.984 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.77 -44.93 0.57 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.295 1.155 . . . . 0.0 110.401 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -107.38 65.29 0.65 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.637 -0.665 . . . . 0.0 110.217 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 m -148.58 130.69 15.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.601 -0.687 . . . . 0.0 110.241 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.0 p -89.41 102.52 15.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.505 -0.747 . . . . 0.0 110.094 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.6 p -106.21 74.81 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.582 -0.699 . . . . 0.0 110.338 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -58.92 -176.06 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.508 -0.745 . . . . 0.0 109.925 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -72.92 -45.3 58.92 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.434 -0.791 . . . . 0.0 110.188 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.13 -40.91 71.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.281 -0.887 . . . . 0.0 110.585 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.82 -16.69 59.33 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.04 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -113.71 -45.95 3.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.33 -0.856 . . . . 0.0 110.799 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.4 p -56.15 -23.84 37.3 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.498 -0.751 . . . . 0.0 110.196 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -72.46 -34.77 67.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.555 -0.715 . . . . 0.0 109.626 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -82.77 -41.81 18.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.653 -0.654 . . . . 0.0 110.061 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 44.0 m -61.68 -29.48 70.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.513 -0.742 . . . . 0.0 109.959 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.2 p -67.77 -32.82 73.67 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.516 -0.74 . . . . 0.0 109.805 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.49 -32.3 73.03 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.613 -0.679 . . . . 0.0 109.858 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -43.27 12.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.574 -0.704 . . . . 0.0 109.762 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -61.61 -36.79 81.74 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.633 -0.667 . . . . 0.0 109.857 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -71.72 -28.67 63.84 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.617 -0.677 . . . . 0.0 110.145 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.4 p -93.98 -20.09 20.3 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.554 -0.716 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.3 mmm -56.16 155.05 7.03 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.351 -0.843 . . . . 0.0 110.494 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.3 p -103.75 -178.5 3.68 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.665 -0.647 . . . . 0.0 110.299 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.92 -22.13 63.22 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.53 -0.731 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -68.23 -30.52 69.6 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.376 -0.827 . . . . 0.0 109.798 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -100.17 -43.65 6.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.644 -0.66 . . . . 0.0 109.934 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -62.4 -23.05 66.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.667 -0.646 . . . . 0.0 110.313 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.4 p -60.16 -30.05 69.07 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.432 -0.792 . . . . 0.0 110.4 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -66.76 -28.96 68.82 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.493 -0.754 . . . . 0.0 110.245 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -92.84 -28.58 16.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.71 . . . . 0.0 110.305 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.05 -28.59 62.41 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.523 -0.736 . . . . 0.0 110.257 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.49 -28.34 46.38 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.593 -0.692 . . . . 0.0 110.253 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.2 mmt -82.19 -28.36 32.07 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.58 -0.7 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.37 -41.76 46.93 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.617 -0.677 . . . . 0.0 110.18 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -68.47 -28.55 67.14 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.608 -0.682 . . . . 0.0 110.207 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.6 t -61.01 -38.75 87.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.549 -0.719 . . . . 0.0 110.125 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -90.59 -29.1 18.02 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.587 -0.695 . . . . 0.0 110.162 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -63.6 -34.2 77.29 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.528 -0.732 . . . . 0.0 110.17 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.54 -28.65 41.28 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.578 -0.701 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.26 -28.45 69.72 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.558 -0.714 . . . . 0.0 110.225 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -70.25 -28.92 65.62 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.505 -0.747 . . . . 0.0 110.188 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.57 -30.56 70.22 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.53 -0.731 . . . . 0.0 110.142 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -100.61 42.23 1.13 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.663 -0.648 . . . . 0.0 110.208 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -126.92 -56.26 1.36 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.59 -0.694 . . . . 0.0 110.183 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.8 mmt -100.81 -34.32 9.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.515 -0.74 . . . . 0.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -92.22 155.25 18.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.566 -0.709 . . . . 0.0 110.223 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.0 t30 . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.815 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptt? . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 121.067 0.461 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.42 50.69 0.13 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -102.34 176.35 5.21 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.55 -0.97 . . . . 0.0 110.092 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.29 148.28 45.48 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.17 165.96 11.91 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.51 -0.994 . . . . 0.0 110.155 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.53 -43.36 0.67 Allowed 'Trans proline' 0 C--N 1.317 -1.104 0 O-C-N 123.512 1.27 . . . . 0.0 110.131 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.22 44.19 2.73 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.163 0.506 . . . . 0.0 110.285 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -157.81 151.51 19.38 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.544 -0.722 . . . . 0.0 110.313 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.58 -165.63 0.24 Allowed 'Trans proline' 0 C--N 1.317 -1.127 0 O-C-N 123.487 1.256 . . . . 0.0 110.441 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -79.42 -169.05 1.74 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.56 -0.713 . . . . 0.0 110.154 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.65 42.28 1.97 Allowed Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? 52.88 -167.26 0.06 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.455 -1.027 . . . . 0.0 110.709 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.8 mtp -129.36 -169.58 2.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.602 -0.686 . . . . 0.0 110.254 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t -155.25 168.3 27.5 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.571 -0.705 . . . . 0.0 110.164 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.1 p -70.27 -28.27 65.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.599 -0.688 . . . . 0.0 110.183 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.26 -28.98 62.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.698 . . . . 0.0 110.194 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.6 -38.67 39.42 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.552 -0.718 . . . . 0.0 110.12 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.08 -29.42 66.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.549 -0.719 . . . . 0.0 110.005 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.81 -57.63 11.11 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.59 -0.694 . . . . 0.0 110.049 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.3 t -66.51 -30.05 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.618 -0.677 . . . . 0.0 109.847 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.35 -32.24 71.18 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.555 -0.716 . . . . 0.0 110.143 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.4 m -93.93 -28.73 15.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.668 -0.645 . . . . 0.0 110.155 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.6 m -79.76 -27.4 40.47 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.56 -0.713 . . . . 0.0 110.396 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -40.83 72.63 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.529 -0.732 . . . . 0.0 110.012 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.93 -42.43 81.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.616 -0.678 . . . . 0.0 110.002 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.47 -23.49 64.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.636 -0.665 . . . . 0.0 110.372 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -77.79 -47.42 18.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.502 -0.749 . . . . 0.0 110.218 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -62.38 -28.9 70.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.549 -0.719 . . . . 0.0 110.28 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -61.17 -20.95 63.33 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.588 -0.695 . . . . 0.0 110.779 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.609 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 2.7 ptmt -133.6 21.24 3.93 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.349 -0.844 . . . . 0.0 110.823 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.609 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 37.0 m80 -145.63 64.53 10.52 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.449 -0.782 . . . . 0.0 110.143 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -73.7 -29.89 10.17 Favored 'Trans proline' 0 C--N 1.317 -1.084 0 O-C-N 123.275 1.145 . . . . 0.0 110.427 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -83.54 -28.33 28.68 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.569 -0.707 . . . . 0.0 110.377 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -93.64 -169.74 2.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.489 -0.757 . . . . 0.0 110.291 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -143.44 -177.92 5.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.644 -0.66 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.8 p -167.77 103.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.604 -0.685 . . . . 0.0 110.567 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -81.25 -164.93 0.83 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.448 -0.783 . . . . 0.0 109.389 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -84.36 -51.51 6.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.319 -0.863 . . . . 0.0 109.975 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.87 75.52 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.325 -0.86 . . . . 0.0 110.729 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.74 -16.71 58.85 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.17 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -114.48 -45.29 3.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.882 . . . . 0.0 110.809 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -56.06 -23.4 33.32 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.467 -0.771 . . . . 0.0 110.079 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -74.35 -30.66 62.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.538 -0.726 . . . . 0.0 109.623 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -89.55 -32.86 16.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.668 -0.645 . . . . 0.0 110.124 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.2 m -61.33 -29.39 69.86 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.476 -0.765 . . . . 0.0 110.007 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.0 p -65.54 -34.79 79.08 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.564 -0.71 . . . . 0.0 109.865 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -63.41 -29.26 70.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.633 -0.667 . . . . 0.0 109.955 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -94.58 -32.75 13.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.518 -0.738 . . . . 0.0 110.086 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -67.75 -41.46 83.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.629 -0.67 . . . . 0.0 110.169 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -76.5 -26.49 55.33 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.492 -0.755 . . . . 0.0 110.544 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.1 p -91.46 -22.58 20.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.487 -0.758 . . . . 0.0 110.629 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.6 mtp -58.07 168.42 1.01 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.334 -0.854 . . . . 0.0 110.403 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.0 m -106.94 -176.77 3.17 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.575 -0.703 . . . . 0.0 110.355 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.28 61.95 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.691 -0.631 . . . . 0.0 110.678 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.79 -30.45 69.89 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.357 -0.839 . . . . 0.0 109.793 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.59 -42.07 7.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.763 -0.586 . . . . 0.0 109.808 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -65.4 -21.37 66.66 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.703 -0.623 . . . . 0.0 110.48 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 p -69.54 -30.93 68.86 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.325 -0.859 . . . . 0.0 110.342 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -67.57 -28.86 68.13 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.495 -0.753 . . . . 0.0 110.21 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -89.96 -28.45 19.13 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.657 -0.652 . . . . 0.0 110.378 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -75.02 -28.29 60.42 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.574 -0.704 . . . . 0.0 110.323 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.34 -28.04 52.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.551 -0.718 . . . . 0.0 110.336 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.6 mmt -76.23 -29.69 57.65 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.706 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.65 -35.21 27.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.626 -0.671 . . . . 0.0 110.195 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -69.62 -28.88 66.29 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.595 -0.691 . . . . 0.0 110.213 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 t -62.5 -43.55 98.54 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.581 -0.699 . . . . 0.0 110.09 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.44 -29.26 41.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.626 -0.671 . . . . 0.0 110.217 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -62.31 -28.17 69.55 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.598 -0.689 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.87 -28.48 32.95 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.593 -0.692 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -68.84 -28.76 67.02 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.479 -0.763 . . . . 0.0 110.219 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -69.57 -28.61 66.13 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.576 -0.703 . . . . 0.0 110.174 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.76 -34.38 77.76 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.53 -0.731 . . . . 0.0 110.143 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -104.86 37.75 2.08 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.604 -0.685 . . . . 0.0 110.255 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -118.27 -36.97 3.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.59 -0.694 . . . . 0.0 110.204 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 34.6 mtp -94.47 -28.74 15.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.618 -0.676 . . . . 0.0 110.209 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -81.25 171.48 14.79 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.575 -0.703 . . . . 0.0 110.217 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.234 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 ttt . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.106 0.479 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.88 108.86 0.39 Allowed Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -101.4 -44.35 5.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.527 -0.984 . . . . 0.0 110.265 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.21 143.23 31.61 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.434 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -174.77 -59.97 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 121.496 -1.003 . . . . 0.0 110.398 179.756 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.3 Cg_endo -72.64 -42.7 1.12 Allowed 'Trans proline' 0 N--CA 1.488 1.165 0 O-C-N 123.116 1.061 . . . . 0.0 110.226 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.67 -49.7 1.87 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.921 -0.487 . . . . 0.0 110.403 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -81.71 145.83 55.17 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.572 -0.705 . . . . 0.0 110.277 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.72 -171.96 0.98 Allowed 'Trans proline' 0 C--N 1.318 -1.075 0 O-C-N 123.309 1.163 . . . . 0.0 110.437 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 ttp85 -154.23 44.5 0.55 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.548 -0.72 . . . . 0.0 110.207 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.44 179.89 36.4 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -94.96 -168.97 1.9 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.651 -0.911 . . . . 0.0 110.148 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.13 -168.98 2.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.536 -0.727 . . . . 0.0 110.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -150.79 168.73 23.54 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.633 -0.667 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.6 p -70.07 -28.18 65.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.571 -0.706 . . . . 0.0 110.226 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.31 -29.17 64.71 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.525 -0.735 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.9 -37.67 39.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.578 -0.701 . . . . 0.0 110.135 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.96 -28.61 63.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.568 -0.707 . . . . 0.0 110.094 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 49' ' ' TRP . 49.8 t80 -61.6 -52.13 65.67 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.593 -0.692 . . . . 0.0 110.179 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.9 t -64.04 -28.38 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.575 -0.703 . . . . 0.0 110.01 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -74.28 -51.61 14.77 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.544 -0.723 . . . . 0.0 110.2 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -62.51 -28.6 69.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.499 -0.751 . . . . 0.0 110.144 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 m -80.6 -28.86 36.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.543 -0.723 . . . . 0.0 110.17 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -49.94 72.71 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.586 -0.696 . . . . 0.0 110.1 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.37 -38.61 87.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.613 -0.679 . . . . 0.0 110.064 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -70.85 -14.42 62.39 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.633 -0.667 . . . . 0.0 110.782 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -94.18 24.0 4.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.337 -0.852 . . . . 0.0 110.519 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -118.2 -36.11 3.66 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.29 -0.882 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -69.55 -37.06 76.89 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.629 -0.669 . . . . 0.0 110.23 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 24.9 pttt -96.22 14.62 23.49 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.561 -0.712 . . . . 0.0 111.003 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 55.2 m-70 -144.48 89.15 6.95 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.257 -0.902 . . . . 0.0 109.946 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.51 -32.02 10.36 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 O-C-N 123.375 1.197 . . . . 0.0 110.679 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -144.82 83.66 1.71 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.523 -0.735 . . . . 0.0 110.305 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t -154.2 130.64 10.56 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.571 -0.705 . . . . 0.0 110.129 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -76.88 151.58 35.75 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.548 -0.72 . . . . 0.0 109.965 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -162.95 71.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.616 -0.677 . . . . 0.0 110.42 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -59.49 -168.5 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -78.53 -40.74 34.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.418 -0.801 . . . . 0.0 110.137 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.45 -45.93 57.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.262 -0.899 . . . . 0.0 110.506 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -60.98 -17.84 54.05 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.911 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -107.79 -48.26 3.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.318 -0.864 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.6 p -53.45 -24.72 13.61 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.41 -0.806 . . . . 0.0 110.333 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -30.78 69.64 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.518 -0.739 . . . . 0.0 109.448 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.19 -44.19 11.66 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.662 -0.649 . . . . 0.0 110.184 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.76 -28.62 68.86 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.549 -0.719 . . . . 0.0 110.04 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.3 p -70.31 -36.13 74.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.549 -0.719 . . . . 0.0 109.757 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.13 -34.49 73.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.575 -0.703 . . . . 0.0 109.716 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -81.39 -46.29 14.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.739 -0.6 . . . . 0.0 109.932 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.418 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 74.8 t-105 -61.39 -31.0 70.9 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.628 -0.67 . . . . 0.0 109.919 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -77.74 -28.39 50.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.602 -0.686 . . . . 0.0 110.134 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.7 p -96.91 -15.71 21.04 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.611 -0.68 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.1 mmm -56.02 160.49 2.78 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.225 -0.922 . . . . 0.0 110.604 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t -110.33 -178.28 3.46 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.538 -0.727 . . . . 0.0 110.345 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.3 -18.57 63.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.721 -0.612 . . . . 0.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -70.68 -29.74 66.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.306 -0.872 . . . . 0.0 109.955 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -102.62 -43.3 5.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.63 -0.669 . . . . 0.0 110.025 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 10.7 mtmm -62.17 -23.34 66.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.666 -0.646 . . . . 0.0 110.402 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 p -59.68 -28.7 67.51 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.343 -0.848 . . . . 0.0 110.376 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -77.29 -29.02 53.58 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.525 -0.735 . . . . 0.0 110.183 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -89.19 -28.17 20.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.508 -0.745 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -75.23 -28.51 59.95 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.532 -0.73 . . . . 0.0 110.257 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.03 -28.25 61.34 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.533 -0.729 . . . . 0.0 110.229 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 48.4 mmm -80.7 -28.36 36.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.564 -0.71 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.67 34.48 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.534 -0.729 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -78.45 -28.75 46.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.522 -0.736 . . . . 0.0 110.248 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.4 t -64.01 -46.58 83.88 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.589 -0.695 . . . . 0.0 110.224 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -72.9 -29.1 62.88 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -66.56 -32.86 74.48 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.568 -0.707 . . . . 0.0 110.196 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -96.13 -32.09 12.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.636 -0.665 . . . . 0.0 110.233 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -70.09 -24.21 63.18 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.561 -0.712 . . . . 0.0 110.443 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -58.59 -27.97 65.13 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.419 -0.801 . . . . 0.0 110.46 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -68.27 -31.25 70.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.579 -0.701 . . . . 0.0 110.11 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -108.39 38.29 2.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.554 -0.716 . . . . 0.0 110.171 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -133.1 -44.84 0.85 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.628 -0.67 . . . . 0.0 110.223 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.43 -38.79 16.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.593 -0.692 . . . . 0.0 110.22 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -94.62 153.62 17.76 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.658 -0.651 . . . . 0.0 110.208 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.5 t30 . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.223 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.6 ttm . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.05 0.452 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.26 51.31 0.44 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -157.6 93.15 1.26 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.572 -0.958 . . . . 0.0 110.244 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.75 158.2 52.99 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.415 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -74.35 -56.85 2.34 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.594 -0.945 . . . . 0.0 110.722 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 5' ' ' ASP . 53.9 Cg_endo -73.6 -44.14 0.55 Allowed 'Trans proline' 0 N--CA 1.487 1.131 0 O-C-N 123.227 1.119 . . . . 0.0 110.302 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.31 -158.96 0.86 Allowed 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 121.193 0.521 . . . . 0.0 109.654 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -136.74 61.74 37.73 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.649 -0.657 . . . . 0.0 110.165 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -74.08 173.4 14.16 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 O-C-N 123.384 1.202 . . . . 0.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -153.1 36.29 0.48 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.551 -0.718 . . . . 0.0 110.204 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.06 -166.65 43.94 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -121.99 -172.93 2.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.591 -0.946 . . . . 0.0 110.19 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.4 tpp -149.33 119.36 7.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.538 -0.726 . . . . 0.0 110.188 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.424 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.2 t -83.79 -179.27 7.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.622 -0.674 . . . . 0.0 110.17 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 p -74.16 -28.67 61.42 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.549 -0.719 . . . . 0.0 110.078 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -66.41 -29.33 69.46 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.535 -0.728 . . . . 0.0 110.162 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.4 69.38 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.665 -0.647 . . . . 0.0 110.051 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -78.6 -29.24 45.94 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.566 -0.709 . . . . 0.0 110.151 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -63.54 -52.4 61.29 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.574 -0.704 . . . . 0.0 110.104 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.47 -28.69 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.596 -0.69 . . . . 0.0 109.847 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -72.53 -38.21 68.11 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.544 -0.722 . . . . 0.0 110.104 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.1 m -83.48 -29.14 28.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.662 -0.649 . . . . 0.0 110.153 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 m -78.28 -28.64 47.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.579 -0.7 . . . . 0.0 110.218 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -73.91 -38.91 64.18 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.6 -0.687 . . . . 0.0 110.079 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.71 -52.02 66.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.526 -0.734 . . . . 0.0 110.013 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.53 -26.21 66.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.563 -0.711 . . . . 0.0 110.152 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -78.71 -35.64 44.62 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.545 -0.722 . . . . 0.0 109.903 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -77.25 63.63 2.51 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.608 -0.683 . . . . 0.0 109.883 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -168.25 -41.24 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.674 -0.641 . . . . 0.0 109.96 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 5.6 ptpt -107.84 23.58 14.25 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.613 -0.68 . . . . 0.0 110.586 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 74.4 m-70 -145.09 77.0 13.28 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.492 -0.755 . . . . 0.0 110.075 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.0 -50.36 0.2 Allowed 'Trans proline' 0 C--N 1.318 -1.038 0 O-C-N 123.296 1.156 . . . . 0.0 110.537 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.39 58.71 3.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.591 -0.693 . . . . 0.0 110.244 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -166.18 130.18 2.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 0.0 110.225 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.2 m -89.17 177.63 6.57 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.564 -0.71 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.7 p -167.52 69.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.497 -0.752 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -60.41 -173.14 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.539 -0.726 . . . . 0.0 109.657 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -73.08 -42.69 62.76 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.89 67.25 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.298 -0.876 . . . . 0.0 110.581 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -62.58 -16.68 57.61 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.05 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -112.74 -44.69 3.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.929 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.6 p -57.41 -23.04 46.96 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.456 -0.778 . . . . 0.0 110.172 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -78.75 -30.67 45.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.541 -0.724 . . . . 0.0 109.781 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -85.15 -46.29 11.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.62 -0.675 . . . . 0.0 110.159 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.28 -28.51 69.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.55 -0.719 . . . . 0.0 110.085 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.1 p -68.42 -32.78 73.06 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.565 -0.709 . . . . 0.0 110.029 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -65.09 -35.16 80.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.59 -0.694 . . . . 0.0 109.951 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -88.03 -39.62 14.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.625 -0.672 . . . . 0.0 110.051 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.407 ' CH2' ' HB2' ' A' ' 57' ' ' LYS . 69.5 t-105 -60.51 -49.23 78.39 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.574 -0.704 . . . . 0.0 110.193 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -64.29 -26.19 68.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.59 -0.694 . . . . 0.0 110.487 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -93.36 -22.18 19.1 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.474 -0.766 . . . . 0.0 110.703 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.19 135.97 57.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.412 -0.805 . . . . 0.0 110.426 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.2 m -77.93 154.68 31.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.552 -0.717 . . . . 0.0 110.223 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 57' ' ' LYS . . . -49.8 -28.43 6.33 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.49 -0.756 . . . . 0.0 111.148 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -72.27 -25.66 61.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.512 -0.743 . . . . 0.0 110.098 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -91.29 -33.35 15.37 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.476 -0.765 . . . . 0.0 110.347 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 14.6 ptpt -95.9 26.92 3.81 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.451 -0.781 . . . . 0.0 110.503 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.7 p -82.54 -29.64 30.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.436 -0.79 . . . . 0.0 110.233 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -70.94 -29.62 65.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.595 -0.691 . . . . 0.0 110.122 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -86.76 -29.19 22.54 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.624 -0.673 . . . . 0.0 110.18 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.06 -29.66 55.24 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.62 -0.675 . . . . 0.0 110.134 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.99 -29.13 58.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.607 -0.683 . . . . 0.0 110.029 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.8 mmt -81.21 -29.17 34.61 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 110.124 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -79.67 -30.1 41.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.506 -0.746 . . . . 0.0 110.127 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -29.76 65.17 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.65 -0.657 . . . . 0.0 110.052 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -71.95 -30.97 65.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.541 -0.725 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -87.28 -29.59 21.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.603 -0.685 . . . . 0.0 110.105 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.72 -30.4 68.01 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.598 -0.689 . . . . 0.0 110.129 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.42 -28.07 21.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.574 -0.704 . . . . 0.0 110.353 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -60.86 -29.22 69.4 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.581 -0.699 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -65.38 -29.14 69.82 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.515 -0.741 . . . . 0.0 110.09 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.34 -28.65 31.46 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.622 -0.674 . . . . 0.0 110.165 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -81.37 -29.0 34.18 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.545 -0.722 . . . . 0.0 110.194 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -79.31 -29.65 42.49 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.602 -0.686 . . . . 0.0 110.166 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 57.0 mmm -86.63 -46.52 10.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.625 -0.672 . . . . 0.0 110.165 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -99.95 148.88 24.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.637 -0.665 . . . . 0.0 110.2 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.237 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.1 tpp . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.101 0.477 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.15 119.2 0.18 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -100.08 117.83 35.16 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.584 -0.951 . . . . 0.0 110.22 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.3 152.99 48.97 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.64 163.19 19.22 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.585 -0.95 . . . . 0.0 110.196 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.29 -42.83 0.82 Allowed 'Trans proline' 0 C--N 1.317 -1.123 0 O-C-N 123.389 1.205 . . . . 0.0 109.948 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.68 -40.88 2.03 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.064 0.459 . . . . 0.0 110.198 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -64.69 159.82 58.55 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.542 -0.724 . . . . 0.0 110.189 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.73 -173.67 1.26 Allowed 'Trans proline' 0 C--N 1.317 -1.106 0 O-C-N 123.498 1.262 . . . . 0.0 110.416 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -95.78 173.33 7.52 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.592 -0.692 . . . . 0.0 110.182 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.54 175.6 43.42 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 -169.22 1.63 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.561 -0.964 . . . . 0.0 110.203 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.95 -168.47 1.55 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.568 -0.708 . . . . 0.0 110.234 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.492 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 5.9 t -161.95 175.43 11.84 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.548 -0.72 . . . . 0.0 110.224 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.9 p -65.38 -28.94 69.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.601 -0.687 . . . . 0.0 110.231 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -77.86 -28.97 50.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.557 -0.714 . . . . 0.0 110.191 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.97 -29.34 39.54 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.581 -0.699 . . . . 0.0 110.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -80.85 -29.08 35.89 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.602 -0.686 . . . . 0.0 110.122 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.65 -48.44 77.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.655 -0.653 . . . . 0.0 110.133 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -71.96 -30.11 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.609 -0.682 . . . . 0.0 109.843 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -71.52 -33.19 68.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.585 -0.697 . . . . 0.0 110.052 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.8 m -87.3 -29.53 21.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.635 -0.666 . . . . 0.0 110.058 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -80.21 -32.05 38.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.602 -0.686 . . . . 0.0 110.129 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -69.84 -39.84 76.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.647 -0.658 . . . . 0.0 110.008 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.1 -54.63 38.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.649 -0.657 . . . . 0.0 110.016 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -61.08 -27.84 68.65 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.619 -0.675 . . . . 0.0 110.104 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -73.7 -24.83 59.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.576 -0.703 . . . . 0.0 110.329 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -91.65 18.68 7.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.444 -0.785 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -111.22 -20.31 12.37 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.343 -0.848 . . . . 0.0 110.427 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -134.84 25.81 3.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.417 -0.802 . . . . 0.0 110.634 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 86.1 m-70 -146.27 62.61 8.17 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 110.06 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.67 -28.78 13.65 Favored 'Trans proline' 0 C--N 1.317 -1.08 0 O-C-N 123.281 1.148 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -107.89 41.26 1.56 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.61 -0.681 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -137.73 135.07 36.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.557 -0.714 . . . . 0.0 110.2 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 m -89.75 140.22 29.8 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.584 -0.698 . . . . 0.0 110.212 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.6 p -144.55 69.23 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.619 -0.676 . . . . 0.0 110.237 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.21 177.1 0.14 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.459 -0.776 . . . . 0.0 109.793 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -64.75 -46.9 80.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.359 -0.838 . . . . 0.0 110.379 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.54 81.84 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.159 -0.963 . . . . 0.0 110.871 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.61 -12.6 60.79 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.586 -0.846 . . . . 0.0 110.273 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -117.81 -42.97 2.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.315 -0.866 . . . . 0.0 110.448 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.6 p -57.2 -22.16 38.75 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.637 -0.665 . . . . 0.0 109.941 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -83.65 -25.87 30.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.503 -0.748 . . . . 0.0 110.33 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -84.35 -42.64 15.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.435 -0.791 . . . . 0.0 110.912 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.1 p -57.95 -30.86 66.32 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.364 -0.835 . . . . 0.0 110.49 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 p -67.94 -39.05 83.53 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.585 -0.697 . . . . 0.0 110.045 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.82 -35.67 80.68 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.632 -0.668 . . . . 0.0 109.932 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -85.91 -37.56 18.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.675 -0.64 . . . . 0.0 110.008 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -67.12 -34.05 76.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.58 -0.7 . . . . 0.0 109.955 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -76.42 -29.54 57.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.571 -0.706 . . . . 0.0 110.075 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.5 p -84.79 -23.77 29.02 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.594 -0.691 . . . . 0.0 110.483 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.5 mmm -57.57 155.44 9.68 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.41 -0.806 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -100.91 -179.54 4.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.601 -0.687 . . . . 0.0 110.353 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.91 -22.59 63.2 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.598 -0.689 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -68.85 -30.44 68.97 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.43 -0.794 . . . . 0.0 109.795 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -98.26 -43.58 6.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.652 -0.655 . . . . 0.0 109.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -61.12 -23.6 65.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.675 -0.641 . . . . 0.0 110.24 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.8 p -67.15 -31.48 71.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.461 -0.774 . . . . 0.0 110.266 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -66.94 -29.44 69.31 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.596 -0.69 . . . . 0.0 110.154 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -93.57 -28.72 15.88 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.569 -0.707 . . . . 0.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.07 -28.62 43.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.591 -0.693 . . . . 0.0 110.204 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -76.3 -28.37 56.96 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.48 -0.762 . . . . 0.0 110.226 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.4 mmt -78.26 -28.74 47.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.542 -0.724 . . . . 0.0 110.247 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -79.75 -30.69 40.85 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.621 -0.674 . . . . 0.0 110.272 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -74.39 -28.77 61.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.592 -0.693 . . . . 0.0 110.125 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t -61.62 -52.14 65.6 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.627 -0.671 . . . . 0.0 110.151 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -70.61 -28.81 65.13 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.615 -0.678 . . . . 0.0 110.221 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -61.34 -28.7 69.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.59 -0.694 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.04 -28.79 65.76 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.582 -0.699 . . . . 0.0 110.29 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -67.13 -28.57 68.25 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.561 -0.712 . . . . 0.0 110.177 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -67.21 -28.86 68.42 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.542 -0.724 . . . . 0.0 110.163 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -69.77 -32.98 71.78 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.611 -0.681 . . . . 0.0 110.112 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -102.76 34.73 2.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.608 -0.682 . . . . 0.0 110.142 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -119.27 -38.28 3.06 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.537 -0.727 . . . . 0.0 110.191 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.7 mtt -91.75 -28.7 17.23 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.585 -0.697 . . . . 0.0 110.255 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -79.42 -34.74 41.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.605 -0.684 . . . . 0.0 110.218 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.4 m120 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.248 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttm . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.118 0.485 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.42 121.27 0.66 Allowed Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -98.39 -58.81 1.88 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.547 -0.972 . . . . 0.0 110.196 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.29 -124.02 5.21 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -158.18 56.26 1.0 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.573 -0.957 . . . . 0.0 110.172 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -73.08 -42.95 0.83 Allowed 'Trans proline' 0 N--CA 1.487 1.111 0 O-C-N 123.333 1.175 . . . . 0.0 110.042 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.86 -47.61 0.49 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.954 -0.466 . . . . 0.0 110.156 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -87.79 167.3 20.81 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.635 -0.666 . . . . 0.0 110.257 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.82 -172.3 0.94 Allowed 'Trans proline' 0 C--N 1.318 -1.041 0 O-C-N 123.395 1.208 . . . . 0.0 110.304 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -91.88 174.16 7.48 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.579 -0.7 . . . . 0.0 110.233 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.67 60.92 3.53 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.2 mttt 52.77 -168.8 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.405 -1.056 . . . . 0.0 110.776 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 mtt -133.39 -168.06 2.03 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.543 -0.723 . . . . 0.0 110.172 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.427 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 11.8 t -153.08 178.63 9.51 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.572 -0.705 . . . . 0.0 110.207 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.8 p -68.75 -28.89 67.21 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.616 -0.677 . . . . 0.0 110.216 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.21 -29.08 63.63 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.615 -0.678 . . . . 0.0 110.109 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -33.92 52.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.557 -0.714 . . . . 0.0 110.026 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -80.11 -29.61 38.98 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.645 -0.659 . . . . 0.0 110.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -63.73 -54.68 31.67 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.658 -0.651 . . . . 0.0 109.999 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.6 t -63.73 -34.8 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.536 -0.727 . . . . 0.0 109.678 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.76 -49.14 71.91 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.61 -0.681 . . . . 0.0 110.073 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 m -69.2 -28.97 66.85 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.602 -0.686 . . . . 0.0 110.088 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 m -81.85 -28.02 33.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.594 -0.691 . . . . 0.0 110.219 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -39.75 65.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.556 -0.715 . . . . 0.0 109.972 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.16 -49.77 74.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.571 -0.705 . . . . 0.0 109.924 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -61.33 -27.69 68.67 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.61 -0.681 . . . . 0.0 110.071 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -77.67 -7.31 56.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.522 -0.736 . . . . 0.0 110.937 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -94.6 23.85 5.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.152 -0.967 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -123.67 -44.09 2.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 109.766 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.592 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -95.93 22.42 7.44 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.762 -0.586 . . . . 0.0 110.628 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.592 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 38.2 m80 -145.81 89.67 6.09 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 110.14 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.97 -50.79 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.088 0 O-C-N 123.4 1.211 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -124.66 53.03 1.49 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.583 -0.698 . . . . 0.0 110.145 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.94 -19.47 10.38 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.549 -0.719 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m 56.17 172.47 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.228 -0.92 . . . . 0.0 110.376 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.1 p -168.32 79.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.492 -0.755 . . . . 0.0 110.56 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -59.86 172.9 0.66 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.349 -0.844 . . . . 0.0 109.715 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -67.55 -47.12 70.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.377 -0.827 . . . . 0.0 110.411 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.543 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -70.21 -39.14 75.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.336 -0.852 . . . . 0.0 110.674 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -64.36 -15.53 60.57 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.656 -0.817 . . . . 0.0 110.152 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -115.81 -46.24 2.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.882 . . . . 0.0 110.639 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.543 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 78.1 p -55.39 -23.79 26.43 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.603 -0.686 . . . . 0.0 110.119 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -70.86 -29.75 65.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.594 -0.692 . . . . 0.0 109.663 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -88.93 -44.96 10.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.1 m -60.96 -28.98 69.37 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.59 -0.694 . . . . 0.0 110.068 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.8 p -73.47 -36.42 65.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.632 -0.668 . . . . 0.0 109.8 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.07 -30.96 69.4 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.633 -0.667 . . . . 0.0 109.75 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -88.63 -38.59 14.71 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.628 -0.67 . . . . 0.0 109.88 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -62.78 -54.19 42.78 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.647 -0.658 . . . . 0.0 109.791 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -60.26 -25.95 66.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.675 -0.641 . . . . 0.0 110.523 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.4 p -95.72 -15.69 22.46 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.533 -0.73 . . . . 0.0 111.01 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 167.03 1.06 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.218 -0.926 . . . . 0.0 110.578 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.2 m -95.36 172.74 7.91 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.544 -0.722 . . . . 0.0 110.38 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.08 -24.48 64.15 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.619 -0.676 . . . . 0.0 110.518 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -68.67 -30.55 69.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.413 -0.805 . . . . 0.0 109.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -96.16 -38.54 10.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.625 -0.672 . . . . 0.0 109.897 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -69.84 -19.06 63.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.696 -0.628 . . . . 0.0 110.53 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 p -79.0 -30.06 44.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.379 -0.826 . . . . 0.0 110.39 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -62.88 -29.2 70.58 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.479 -0.763 . . . . 0.0 110.199 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -94.19 -29.02 15.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.589 -0.694 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -72.95 -29.31 62.99 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.537 -0.727 . . . . 0.0 110.19 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -79.71 -28.31 40.6 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.567 -0.708 . . . . 0.0 110.221 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.3 mtt -79.26 -28.77 42.4 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.548 -0.72 . . . . 0.0 110.278 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.85 -32.31 46.02 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.522 -0.737 . . . . 0.0 110.107 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -70.37 -29.27 65.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.568 -0.707 . . . . 0.0 110.177 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 t -62.67 -41.48 99.1 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.583 -0.698 . . . . 0.0 110.134 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -82.91 -29.29 29.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.548 -0.72 . . . . 0.0 110.193 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -63.86 -29.17 70.39 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.575 -0.703 . . . . 0.0 110.165 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.25 -29.14 14.66 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.606 -0.684 . . . . 0.0 110.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -70.87 -27.9 64.17 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.55 -0.719 . . . . 0.0 110.203 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -73.34 -17.14 61.33 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 110.679 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -56.81 -27.76 60.42 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.203 -0.936 . . . . 0.0 110.557 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -98.99 34.99 1.97 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.556 -0.715 . . . . 0.0 110.107 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -131.69 -43.5 1.0 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.624 -0.672 . . . . 0.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 53.0 mtt -80.23 -47.47 14.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.594 -0.691 . . . . 0.0 110.275 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -149.32 170.37 18.67 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.589 -0.694 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.253 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 mmm . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.098 0.475 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.92 134.46 3.34 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -154.92 -44.35 0.08 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.594 -0.945 . . . . 0.0 110.208 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.82 -41.8 10.41 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.606 -1.397 . . . . 0.0 109.606 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -152.43 164.43 20.32 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.591 -0.947 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -73.34 -42.89 0.8 Allowed 'Trans proline' 0 C--N 1.316 -1.142 0 O-C-N 123.483 1.254 . . . . 0.0 110.014 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.6 -40.5 2.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.893 -0.504 . . . . 0.0 110.183 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -65.68 159.04 71.42 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.603 -0.686 . . . . 0.0 110.188 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD3' ' HE2' ' A' ' 75' ' ' MET . 46.2 Cg_endo -72.62 -166.73 0.3 Allowed 'Trans proline' 0 C--N 1.317 -1.116 0 O-C-N 123.411 1.216 . . . . 0.0 110.401 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -84.15 -166.57 1.47 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.565 -0.709 . . . . 0.0 110.129 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.47 134.49 6.87 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.24 147.79 22.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.534 -0.98 . . . . 0.0 110.151 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -106.96 -75.88 0.62 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.539 -0.726 . . . . 0.0 110.204 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -169.55 -175.86 2.28 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.432 -0.793 . . . . 0.0 110.205 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -70.74 -28.3 64.6 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.658 -0.651 . . . . 0.0 110.177 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -75.45 -29.09 59.54 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.507 -0.746 . . . . 0.0 110.155 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.62 -40.22 66.63 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.572 -0.705 . . . . 0.0 109.908 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -70.84 -28.91 64.95 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.673 -0.642 . . . . 0.0 109.987 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.97 -50.85 71.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.605 -0.684 . . . . 0.0 110.186 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.99 -30.6 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.533 -0.729 . . . . 0.0 109.893 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -70.25 -41.42 73.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.533 -0.729 . . . . 0.0 110.122 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.1 m -80.37 -27.79 38.14 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.571 -0.706 . . . . 0.0 110.247 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.4 m -76.23 -26.21 55.84 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.593 -0.692 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -70.69 -44.42 67.01 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.514 -0.741 . . . . 0.0 109.993 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -60.82 -40.85 94.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.546 -0.721 . . . . 0.0 109.842 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -71.67 -18.93 62.15 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.705 -0.622 . . . . 0.0 110.262 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -96.87 30.2 2.77 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.417 -0.802 . . . . 0.0 110.105 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -126.89 -51.28 1.45 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.424 -0.798 . . . . 0.0 110.501 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -61.73 -26.85 68.32 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.599 -0.688 . . . . 0.0 110.495 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' CD ' ' CE1' ' A' ' 31' ' ' HIS . 18.7 ptpt -105.41 -23.51 12.82 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.54 -0.725 . . . . 0.0 110.609 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CE1' ' CD ' ' A' ' 30' ' ' LYS . 33.9 m170 -117.43 69.7 5.97 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 121.422 -0.799 . . . . 0.0 110.305 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.2 -49.69 0.22 Allowed 'Trans proline' 0 C--N 1.317 -1.106 0 O-C-N 123.256 1.134 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.46 59.1 2.89 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.587 -0.696 . . . . 0.0 110.185 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.0 m -150.76 132.47 14.93 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.553 -0.717 . . . . 0.0 110.231 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -80.68 144.36 32.32 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.571 -0.706 . . . . 0.0 110.109 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.1 p -156.04 69.22 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.581 -0.699 . . . . 0.0 110.225 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.18 -178.26 0.08 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.481 -0.762 . . . . 0.0 109.767 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -72.06 -41.06 67.85 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.386 -0.821 . . . . 0.0 110.202 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.47 -43.48 63.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.272 -0.892 . . . . 0.0 110.506 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.42 -16.65 56.22 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.921 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -110.94 -45.49 3.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.284 -0.885 . . . . 0.0 111.008 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.4 p -56.5 -24.21 44.75 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.445 -0.785 . . . . 0.0 110.173 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -80.6 -29.71 36.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.573 -0.705 . . . . 0.0 109.78 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.73 -40.33 15.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.561 -0.712 . . . . 0.0 110.224 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.6 m -60.63 -29.68 69.4 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.602 -0.686 . . . . 0.0 109.989 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -34.79 66.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.513 -0.742 . . . . 0.0 109.859 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.19 -28.26 69.55 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.572 -0.705 . . . . 0.0 109.899 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -95.66 -40.84 9.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.665 -0.647 . . . . 0.0 109.827 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -60.16 -41.63 93.23 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.651 -0.656 . . . . 0.0 109.759 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -66.42 -16.9 64.45 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.613 -0.679 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -118.76 -1.15 11.13 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.283 -0.886 . . . . 0.0 111.182 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmm -59.2 164.93 2.85 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.152 -0.967 . . . . 0.0 110.235 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -89.78 166.39 13.58 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.492 -0.755 . . . . 0.0 110.334 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.83 -23.47 66.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.597 -0.69 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -73.63 -30.43 62.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.426 -0.796 . . . . 0.0 109.863 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -94.7 -34.25 12.62 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.722 -0.611 . . . . 0.0 109.938 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -73.69 -25.05 60.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.637 -0.665 . . . . 0.0 110.254 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -69.42 -31.16 69.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.516 -0.74 . . . . 0.0 110.22 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -64.45 -32.05 73.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.611 -0.68 . . . . 0.0 110.114 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -90.86 -29.13 17.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.543 -0.723 . . . . 0.0 110.174 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.74 -29.83 29.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.635 -0.665 . . . . 0.0 110.179 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.01 -29.04 29.21 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.587 -0.696 . . . . 0.0 110.123 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.7 mtt -77.93 -29.29 49.89 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.569 -0.707 . . . . 0.0 110.131 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.59 -33.83 41.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.575 -0.703 . . . . 0.0 110.169 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -81.05 -30.27 34.86 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.579 -0.701 . . . . 0.0 110.156 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 t -66.94 -33.13 74.91 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.623 -0.673 . . . . 0.0 110.028 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.03 -29.06 23.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.586 -0.696 . . . . 0.0 110.118 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.46 -34.34 74.23 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.625 -0.672 . . . . 0.0 110.153 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.05 -29.51 60.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.559 -0.713 . . . . 0.0 110.066 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -71.82 -27.83 63.17 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.635 -0.666 . . . . 0.0 110.156 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.36 -28.45 68.2 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.569 -0.707 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -78.96 -31.35 44.99 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.531 -0.731 . . . . 0.0 110.17 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -98.63 36.6 1.62 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.555 -0.716 . . . . 0.0 110.165 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -130.97 -45.11 1.04 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.604 -0.685 . . . . 0.0 110.21 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.433 ' HE2' ' HD3' ' A' ' 9' ' ' PRO . 8.6 mmt -98.14 -30.38 12.69 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.559 -0.713 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -144.31 -171.1 3.51 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.517 -0.739 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.8 m120 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.173 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.078 0.466 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.76 165.17 39.4 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -153.56 32.53 0.46 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.614 -0.933 . . . . 0.0 110.093 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.99 -131.36 7.38 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.13 169.52 6.52 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.568 -0.96 . . . . 0.0 110.179 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -73.48 -43.07 0.72 Allowed 'Trans proline' 0 C--N 1.316 -1.138 0 O-C-N 123.434 1.228 . . . . 0.0 109.938 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.6 -33.57 4.25 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 122.016 -0.428 . . . . 0.0 110.427 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -82.0 163.25 54.12 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.517 -0.739 . . . . 0.0 110.148 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.81 171.16 17.94 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 O-C-N 123.368 1.194 . . . . 0.0 110.408 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -58.52 177.27 0.14 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.52 -0.738 . . . . 0.0 110.47 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.27 58.7 0.4 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt 53.22 -179.04 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.516 -0.99 . . . . 0.0 110.753 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.442 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 29.7 mtt -138.79 -41.15 0.49 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.558 -0.714 . . . . 0.0 110.812 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.597 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 1.3 t 62.48 162.01 0.09 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.182 -0.949 . . . . 0.0 110.115 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 77.8 p -58.78 -30.56 67.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.624 -0.673 . . . . 0.0 110.887 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -60.74 -25.9 66.8 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.458 -0.776 . . . . 0.0 110.616 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -81.37 -34.93 31.42 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.476 -0.765 . . . . 0.0 110.408 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -76.29 -25.83 55.27 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.527 -0.733 . . . . 0.0 110.491 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -69.04 -49.86 53.8 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.35 -0.844 . . . . 0.0 110.312 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t -72.42 -31.35 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.559 -0.713 . . . . 0.0 110.003 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -71.49 -29.18 64.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.538 -0.726 . . . . 0.0 110.182 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.3 m -97.57 -27.55 14.35 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.556 -0.715 . . . . 0.0 110.289 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -76.4 -28.55 56.75 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.633 -0.667 . . . . 0.0 110.234 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -76.54 -35.5 58.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.597 -0.69 . . . . 0.0 110.147 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.71 -50.05 66.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.664 -0.648 . . . . 0.0 110.071 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -63.08 -24.16 67.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.611 -0.681 . . . . 0.0 110.423 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -68.81 -46.87 67.53 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.414 -0.804 . . . . 0.0 110.226 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -62.1 -28.05 69.35 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.572 -0.705 . . . . 0.0 110.432 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -60.71 -26.6 67.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.52 -0.738 . . . . 0.0 110.486 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -128.33 19.6 6.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.504 -0.748 . . . . 0.0 110.871 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.595 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 37.7 m80 -144.87 63.28 10.16 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.442 -0.786 . . . . 0.0 110.184 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.02 -41.28 1.4 Allowed 'Trans proline' 0 C--N 1.318 -1.057 0 O-C-N 123.272 1.143 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.81 55.55 1.38 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.618 -0.676 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 m -152.13 -158.4 0.9 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.56 -0.712 . . . . 0.0 110.144 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -151.72 160.65 43.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.571 -0.706 . . . . 0.0 110.168 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.0 p -156.23 70.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.605 -0.684 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -58.84 172.64 0.51 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.547 -0.721 . . . . 0.0 109.731 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' SER . 83.6 m-85 -62.67 -64.71 0.84 Allowed 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.32 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.66 -49.17 68.53 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.495 -0.753 . . . . 0.0 111.892 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -54.18 -23.68 15.33 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.189 -0.944 . . . . 0.0 110.277 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -105.75 -26.98 11.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.546 -0.721 . . . . 0.0 110.17 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' PHE . 4.8 p -64.24 -26.7 68.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.664 -0.647 . . . . 0.0 109.443 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -84.81 -25.47 28.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.745 -0.597 . . . . 0.0 110.349 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -84.73 -41.94 15.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.512 -0.743 . . . . 0.0 110.754 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.3 p -58.9 -31.3 68.49 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.444 -0.785 . . . . 0.0 110.45 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.9 p -67.58 -34.26 76.67 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.593 -0.692 . . . . 0.0 110.12 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.6 -28.83 68.81 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.59 -0.694 . . . . 0.0 110.073 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -94.52 -42.18 8.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.591 -0.693 . . . . 0.0 110.251 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.413 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 72.4 t-105 -60.64 -29.86 69.52 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.635 -0.665 . . . . 0.0 110.248 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -80.95 -27.72 35.94 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.536 -0.728 . . . . 0.0 110.371 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.7 p -84.35 -26.59 28.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.528 -0.733 . . . . 0.0 110.464 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.8 mmm -59.36 152.31 21.54 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.376 -0.828 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.5 t -107.36 -173.8 2.38 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.579 -0.7 . . . . 0.0 110.293 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.73 -20.7 65.95 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.592 -0.692 . . . . 0.0 110.701 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -72.84 -27.99 62.26 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.357 -0.84 . . . . 0.0 110.142 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -105.78 -25.36 12.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.622 -0.674 . . . . 0.0 110.483 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HE3' ' CE2' ' A' ' 49' ' ' TRP . 39.1 mtpt -95.71 27.59 3.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.415 -0.803 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 p -105.06 -33.27 8.36 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.47 -0.769 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -70.98 -30.21 66.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.569 -0.707 . . . . 0.0 110.36 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -76.47 -33.16 58.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.58 -0.7 . . . . 0.0 110.186 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.54 -30.41 71.44 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.568 -0.708 . . . . 0.0 110.209 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -71.94 -28.66 63.61 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.576 -0.703 . . . . 0.0 110.18 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.0 mmt -80.97 -33.14 34.04 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.559 -0.713 . . . . 0.0 110.187 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -70.75 -39.52 73.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.688 -0.632 . . . . 0.0 110.155 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -62.95 -26.93 69.05 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.638 -0.664 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.0 t -59.89 -47.26 86.48 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.486 -0.759 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -82.46 -40.44 21.14 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.553 -0.717 . . . . 0.0 110.175 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -62.68 -28.23 69.78 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.679 -0.638 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.07 -30.72 31.17 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.651 -0.655 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -85.13 -28.63 25.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.526 -0.734 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.19 -28.12 69.53 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.59 -0.694 . . . . 0.0 110.21 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -73.98 -34.66 64.3 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.496 -0.753 . . . . 0.0 110.19 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.2 mtt85 -102.9 44.38 1.02 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.527 -0.733 . . . . 0.0 110.215 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -125.76 -41.25 1.99 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.739 . . . . 0.0 110.224 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.3 mtp -105.38 38.79 1.88 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.548 -0.72 . . . . 0.0 110.243 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -114.77 38.71 3.05 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.621 -0.674 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.196 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 ptm . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.025 0.441 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.34 97.72 0.11 Allowed Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -147.07 94.99 2.49 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.59 -0.947 . . . . 0.0 110.181 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.53 -30.06 5.1 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.84 162.94 55.89 Favored Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.621 -0.929 . . . . 0.0 110.074 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.29 -43.2 0.74 Allowed 'Trans proline' 0 N--CA 1.486 1.077 0 O-C-N 123.435 1.229 . . . . 0.0 110.168 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.27 85.39 2.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.86 -0.525 . . . . 0.0 110.286 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -158.23 151.83 19.28 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.575 -0.703 . . . . 0.0 110.096 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.78 170.21 20.14 Favored 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.445 1.234 . . . . 0.0 110.378 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -104.15 33.08 3.63 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.636 -0.665 . . . . 0.0 110.294 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.14 -160.75 38.82 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -119.5 -167.94 1.5 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.618 -0.931 . . . . 0.0 110.238 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.417 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 22.4 mtt -148.74 115.59 6.02 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.539 -0.726 . . . . 0.0 110.181 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.532 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 11.5 t -78.05 179.79 6.59 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.53 -0.732 . . . . 0.0 110.245 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.1 p -71.81 -28.61 63.7 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.62 -0.675 . . . . 0.0 110.205 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -74.12 -28.83 61.53 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.555 -0.716 . . . . 0.0 110.146 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.99 -45.4 61.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.59 -0.694 . . . . 0.0 110.102 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 30.2 m-85 -62.23 -29.07 70.13 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.541 -0.724 . . . . 0.0 110.101 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.86 -59.81 4.34 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.622 -0.674 . . . . 0.0 110.215 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.81 -29.6 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.592 -0.692 . . . . 0.0 109.88 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -69.46 -33.43 72.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.543 -0.723 . . . . 0.0 110.093 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.3 m -89.24 -29.28 19.35 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.6 -0.688 . . . . 0.0 110.137 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.6 m -79.63 -29.54 41.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.6 -0.688 . . . . 0.0 110.108 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -33.21 43.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.629 -0.669 . . . . 0.0 110.09 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.14 -28.93 68.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.643 -0.66 . . . . 0.0 110.15 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -96.01 24.35 5.62 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.491 -0.756 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -104.49 -45.36 4.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.462 -0.774 . . . . 0.0 110.121 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -61.17 -26.86 68.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.677 -0.639 . . . . 0.0 110.413 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -59.7 -27.06 66.11 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.477 -0.765 . . . . 0.0 110.491 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.592 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -131.4 21.01 4.76 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.469 -0.769 . . . . 0.0 110.818 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.592 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 38.3 m80 -145.33 75.56 13.67 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.393 -0.817 . . . . 0.0 110.123 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.05 -46.27 0.39 Allowed 'Trans proline' 0 C--N 1.318 -1.074 0 O-C-N 123.283 1.149 . . . . 0.0 110.407 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.01 64.54 0.68 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.574 -0.704 . . . . 0.0 110.191 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -153.12 -49.69 0.1 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.453 -0.78 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.441 ' C ' HG13 ' A' ' 36' ' ' VAL . 9.2 m 54.79 174.56 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.42 -0.8 . . . . 0.0 110.753 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 36' ' ' VAL . 34.7 m -147.92 120.61 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.734 -0.604 . . . . 0.0 110.53 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -90.53 51.49 2.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.554 -0.716 . . . . 0.0 109.818 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 56.94 -84.9 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.81 -0.556 . . . . 0.0 110.892 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.63 -23.46 2.61 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.787 -1.196 . . . . 0.0 112.041 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -77.77 -18.1 56.8 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.439 -0.904 . . . . 0.0 109.786 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -120.28 -43.51 2.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.486 -0.759 . . . . 0.0 109.636 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.7 p -56.77 -22.8 38.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.835 -0.541 . . . . 0.0 109.966 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -71.74 -31.11 66.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.575 -0.703 . . . . 0.0 110.0 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.58 -37.67 20.88 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.567 -0.708 . . . . 0.0 110.196 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.4 m -60.93 -32.63 72.13 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.519 -0.738 . . . . 0.0 110.078 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -64.07 -36.73 84.98 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.476 -0.765 . . . . 0.0 109.851 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.79 -28.77 69.79 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.542 -0.724 . . . . 0.0 109.958 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -91.16 -38.81 12.49 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.584 -0.698 . . . . 0.0 110.074 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.417 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 60.4 t-105 -62.44 -53.24 57.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.586 -0.697 . . . . 0.0 110.126 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -62.81 -26.15 68.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.554 -0.716 . . . . 0.0 110.553 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.3 p -92.79 -17.66 23.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.516 -0.74 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.3 mmm -56.1 152.67 10.21 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.31 -0.868 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 t -80.11 163.67 23.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.583 -0.698 . . . . 0.0 110.36 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.67 -26.27 66.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.596 -0.69 . . . . 0.0 110.294 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -69.28 -31.16 69.49 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.482 -0.761 . . . . 0.0 109.729 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -92.63 -38.41 11.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.681 -0.637 . . . . 0.0 109.887 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 19.3 mtmt -67.44 -22.39 65.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.644 -0.66 . . . . 0.0 110.271 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.2 p -70.37 -30.38 67.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.448 -0.783 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -62.28 -29.03 70.14 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.626 -0.671 . . . . 0.0 110.204 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -89.53 -28.76 19.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.636 -0.665 . . . . 0.0 110.194 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -76.78 -28.94 55.85 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.639 -0.663 . . . . 0.0 110.239 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -70.68 -31.63 68.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.571 -0.706 . . . . 0.0 110.084 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -29.08 32.08 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.617 -0.677 . . . . 0.0 110.05 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.95 -29.38 43.94 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.649 -0.657 . . . . 0.0 110.198 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -78.14 -28.84 48.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.595 -0.691 . . . . 0.0 110.156 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.7 t -72.2 -30.98 65.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.662 -0.649 . . . . 0.0 110.114 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -83.07 -29.58 28.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.619 -0.675 . . . . 0.0 110.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -68.29 -30.08 69.0 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.647 -0.658 . . . . 0.0 110.136 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.26 -28.77 23.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.601 -0.687 . . . . 0.0 110.224 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -74.58 -28.65 61.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.524 -0.735 . . . . 0.0 110.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CE1' ' HG3' ' A' ' 75' ' ' MET . 37.1 t80 -76.71 -28.86 56.01 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.572 -0.705 . . . . 0.0 110.191 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.83 -31.12 69.87 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.56 -0.712 . . . . 0.0 110.044 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -88.7 -33.97 17.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.635 -0.665 . . . . 0.0 110.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.85 -37.52 87.9 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.576 -0.702 . . . . 0.0 110.225 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.421 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 5.8 mmt -89.76 -57.89 2.71 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.605 -0.684 . . . . 0.0 110.24 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.72 -176.56 4.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.559 -0.713 . . . . 0.0 110.285 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 t30 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.179 -179.924 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ttt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.057 0.455 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.83 96.93 0.14 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -154.48 45.08 0.54 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.54 -0.976 . . . . 0.0 110.253 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.56 -142.14 0.07 OUTLIER Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.611 -1.395 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.439 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.59 -60.14 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.536 -0.979 . . . . 0.0 110.306 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.3 Cg_endo -72.69 -42.31 1.24 Allowed 'Trans proline' 0 N--CA 1.488 1.198 0 O-C-N 123.098 1.052 . . . . 0.0 109.91 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.34 -70.45 0.78 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 122.004 -0.435 . . . . 0.0 110.284 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -61.03 111.57 4.38 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.582 -0.699 . . . . 0.0 110.087 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.54 178.1 6.64 Favored 'Trans proline' 0 N--CA 1.485 0.975 0 O-C-N 123.093 1.049 . . . . 0.0 110.229 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -67.41 152.44 45.68 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.547 -0.72 . . . . 0.0 110.184 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.25 142.49 22.21 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -92.39 -168.04 1.89 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.56 -0.965 . . . . 0.0 110.144 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.6 mtt -134.64 -162.61 1.27 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.54 -0.725 . . . . 0.0 109.803 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -139.94 179.34 6.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.535 -0.728 . . . . 0.0 110.1 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.3 p -59.72 -29.51 68.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.53 -0.732 . . . . 0.0 110.418 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -70.71 -30.47 67.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.595 -0.691 . . . . 0.0 110.2 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.56 -37.8 27.15 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.578 -0.702 . . . . 0.0 110.157 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -65.08 -29.23 70.08 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.656 -0.653 . . . . 0.0 110.143 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 49' ' ' TRP . 32.3 t80 -61.38 -51.49 68.58 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.628 -0.67 . . . . 0.0 110.139 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.73 -29.64 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.579 -0.7 . . . . 0.0 109.907 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -70.03 -36.06 74.79 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.603 -0.686 . . . . 0.0 110.101 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -84.47 -29.43 26.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.567 -0.708 . . . . 0.0 110.055 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.6 m -78.89 -29.66 44.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.618 -0.676 . . . . 0.0 110.174 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -41.26 69.45 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.527 -0.733 . . . . 0.0 109.982 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -63.74 -33.27 75.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.58 -0.7 . . . . 0.0 109.828 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.21 -12.36 59.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.663 -0.648 . . . . 0.0 110.833 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.497 ' CD2' ' CD2' ' A' ' 31' ' ' HIS . 14.3 t60 -90.63 17.29 7.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.267 -0.895 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -111.97 22.76 14.52 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.245 -0.909 . . . . 0.0 110.586 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -114.62 -30.83 6.38 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.374 -0.829 . . . . 0.0 110.152 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 1.5 ptmm? -126.73 31.15 5.37 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.625 -0.672 . . . . 0.0 110.423 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CD2' ' CD2' ' A' ' 27' ' ' HIS . 81.9 m-70 -145.61 80.12 10.9 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.595 -0.691 . . . . 0.0 110.253 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.8 -50.8 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.04 0 O-C-N 123.405 1.213 . . . . 0.0 110.372 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.13 58.53 1.18 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.577 -0.702 . . . . 0.0 110.061 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.5 t -111.03 -22.33 11.53 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.568 -0.707 . . . . 0.0 110.605 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m 54.97 98.0 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.259 -0.901 . . . . 0.0 110.514 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.7 p -107.53 77.63 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.606 -0.684 . . . . 0.0 110.444 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -59.36 -173.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.399 -0.813 . . . . 0.0 109.829 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -76.08 -47.66 23.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.384 -0.822 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.58 74.97 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.312 -0.868 . . . . 0.0 110.679 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.61 -16.93 59.04 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.225 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -115.5 -46.04 2.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.324 -0.86 . . . . 0.0 110.63 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.1 p -56.54 -23.35 39.42 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.524 -0.735 . . . . 0.0 110.203 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -68.09 -29.77 68.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.554 -0.716 . . . . 0.0 109.762 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -92.08 -45.86 8.08 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.567 -0.708 . . . . 0.0 110.177 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 72.6 m -61.38 -29.42 69.91 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.549 -0.719 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.4 p -72.64 -33.51 66.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.565 -0.709 . . . . 0.0 109.796 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -72.68 -31.03 64.73 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.606 -0.684 . . . . 0.0 109.738 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -89.81 -38.78 13.53 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.722 -0.611 . . . . 0.0 109.863 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.43 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 61.6 t-105 -61.36 -48.62 80.47 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.586 -0.696 . . . . 0.0 109.849 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -65.77 -26.4 67.7 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.67 -0.644 . . . . 0.0 110.432 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.1 p -101.04 -0.6 36.1 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.478 -0.764 . . . . 0.0 111.054 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.43 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 2.1 mmm -61.72 163.1 7.69 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.207 -0.933 . . . . 0.0 110.167 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -88.45 166.74 14.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.626 -0.671 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.26 -19.93 65.58 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.633 -0.667 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -74.16 -30.4 62.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.311 -0.868 . . . . 0.0 109.905 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 18.0 mt-10 -95.94 -34.54 11.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.642 -0.661 . . . . 0.0 109.996 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -74.05 -25.15 59.68 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.629 -0.67 . . . . 0.0 110.29 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.3 p -71.47 -29.38 64.77 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.482 -0.761 . . . . 0.0 110.238 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -62.93 -29.01 70.46 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.547 -0.72 . . . . 0.0 110.178 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -94.79 -28.89 15.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.594 -0.691 . . . . 0.0 110.202 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.56 -29.03 65.37 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.534 -0.729 . . . . 0.0 110.184 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.46 -28.14 23.66 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.581 -0.7 . . . . 0.0 110.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.6 mtp -78.03 -28.57 49.06 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.598 -0.688 . . . . 0.0 110.176 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.14 22.97 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.571 -0.705 . . . . 0.0 110.176 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -68.83 -29.66 68.04 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.559 -0.713 . . . . 0.0 110.156 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.5 t -63.94 -36.3 83.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.556 -0.715 . . . . 0.0 110.14 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.1 -28.69 21.14 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.584 -0.698 . . . . 0.0 110.273 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -60.39 -28.25 68.08 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.567 -0.708 . . . . 0.0 110.381 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.07 -29.09 60.58 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.557 -0.715 . . . . 0.0 110.242 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -61.58 -26.48 67.99 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.567 -0.708 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -59.72 -28.55 67.43 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.521 -0.737 . . . . 0.0 110.33 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -83.96 -31.86 25.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.63 -0.669 . . . . 0.0 110.181 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -99.09 42.51 1.1 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -125.9 -41.39 1.96 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.55 -0.719 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.2 mmm -82.84 -39.21 21.96 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.623 -0.673 . . . . 0.0 110.217 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -146.19 142.01 28.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.523 -0.736 . . . . 0.0 110.32 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.234 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.067 0.461 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.95 50.11 5.7 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -155.02 -51.85 0.09 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.582 -0.952 . . . . 0.0 110.204 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.32 -139.55 10.76 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -154.23 62.19 3.64 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.555 -0.968 . . . . 0.0 110.24 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.17 -42.88 0.84 Allowed 'Trans proline' 0 C--N 1.317 -1.09 0 O-C-N 123.382 1.201 . . . . 0.0 110.09 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.57 -48.71 0.64 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.876 -0.515 . . . . 0.0 110.192 -178.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -95.05 161.18 29.1 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.592 -0.692 . . . . 0.0 110.286 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.69 -175.72 1.98 Allowed 'Trans proline' 0 C--N 1.316 -1.183 0 O-C-N 123.426 1.224 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -90.96 -177.87 5.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.563 -0.711 . . . . 0.0 110.132 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.85 -143.98 0.41 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -124.49 -168.57 1.83 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.523 -0.987 . . . . 0.0 110.167 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.42 99.76 6.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.665 -0.647 . . . . 0.0 110.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.508 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 18.4 t -81.11 -176.82 6.16 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.678 -0.639 . . . . 0.0 110.134 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.4 p -70.02 -28.75 65.75 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.587 -0.695 . . . . 0.0 110.156 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -67.33 -29.32 68.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.607 -0.683 . . . . 0.0 110.073 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.6 -36.18 52.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.521 -0.737 . . . . 0.0 110.037 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -73.82 -29.22 62.03 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.58 -0.7 . . . . 0.0 110.084 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -62.45 -52.74 62.32 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.605 -0.684 . . . . 0.0 110.143 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.51 -29.59 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.607 -0.683 . . . . 0.0 109.802 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -68.5 -32.87 73.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.544 -0.722 . . . . 0.0 110.082 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.6 m -85.85 -29.41 23.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.61 -0.681 . . . . 0.0 110.129 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 m -84.97 -28.03 26.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.592 -0.692 . . . . 0.0 110.238 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -43.12 48.39 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.528 -0.733 . . . . 0.0 110.106 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.58 -28.19 65.33 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.474 -0.766 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -87.16 -26.83 23.39 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.537 -0.727 . . . . 0.0 110.155 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -69.16 -10.21 56.6 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.519 -0.738 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -91.87 20.62 5.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.124 -0.985 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -117.41 -17.01 10.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.359 -0.838 . . . . 0.0 110.824 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -139.5 26.23 2.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.253 -0.905 . . . . 0.0 110.631 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 85.2 m-70 -145.97 72.63 13.57 Favored Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.555 -0.715 . . . . 0.0 110.245 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.91 -50.74 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.062 0 O-C-N 123.351 1.185 . . . . 0.0 110.435 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.7 48.93 0.93 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.587 -0.695 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 t -113.47 -28.75 7.42 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.545 -0.722 . . . . 0.0 110.231 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 m 52.82 96.03 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.406 -0.809 . . . . 0.0 110.73 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 41' ' ' PHE . 75.5 t -92.08 100.34 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.639 -0.663 . . . . 0.0 110.262 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -94.46 46.85 1.16 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.568 -0.708 . . . . 0.0 109.608 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 60.13 -78.59 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.945 -0.472 . . . . 0.0 111.007 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.47 -27.78 7.16 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.996 -1.065 . . . . 0.0 111.776 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -73.53 -18.2 61.12 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.811 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB2' HG13 ' A' ' 36' ' ' VAL . 40.9 t80 -117.93 -44.63 2.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.463 -0.773 . . . . 0.0 109.963 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 p -55.53 -23.8 28.47 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.675 -0.641 . . . . 0.0 110.002 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -68.45 -30.11 68.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.654 -0.654 . . . . 0.0 109.752 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -86.8 -42.51 13.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.652 -0.655 . . . . 0.0 110.157 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 66.1 m -60.93 -28.41 68.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.584 -0.698 . . . . 0.0 110.128 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.5 p -72.06 -30.21 64.92 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.542 -0.724 . . . . 0.0 109.94 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.06 -30.27 63.59 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.63 -0.669 . . . . 0.0 109.837 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -90.85 -37.18 13.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.566 -0.709 . . . . 0.0 109.905 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -64.96 -37.44 87.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.626 -0.671 . . . . 0.0 110.024 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -79.92 -24.73 40.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.582 -0.698 . . . . 0.0 110.616 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.6 p -94.39 -21.98 18.6 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.437 -0.79 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.0 mtp -57.7 165.88 1.54 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.307 -0.871 . . . . 0.0 110.386 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -104.3 -168.68 1.52 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.6 -0.688 . . . . 0.0 110.365 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.87 -8.51 57.48 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.553 -0.717 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -74.66 -30.74 61.7 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.259 -0.901 . . . . 0.0 109.794 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -102.18 -37.42 8.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.703 -0.623 . . . . 0.0 109.926 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -67.81 -26.57 66.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.708 -0.62 . . . . 0.0 110.241 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 p -64.61 -32.19 73.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.508 -0.745 . . . . 0.0 110.273 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -68.87 -29.22 67.47 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.526 -0.734 . . . . 0.0 110.163 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -93.91 -28.8 15.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.57 -0.706 . . . . 0.0 110.185 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.71 -28.76 62.86 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.555 -0.716 . . . . 0.0 110.169 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.06 -28.72 48.92 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.494 -0.754 . . . . 0.0 110.146 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.2 mmt -81.14 -28.94 34.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.614 -0.679 . . . . 0.0 110.163 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -74.48 -41.37 60.85 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.589 -0.695 . . . . 0.0 110.115 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -65.15 -30.55 71.48 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.575 -0.703 . . . . 0.0 110.065 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -63.23 -37.49 87.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.646 -0.659 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -87.04 -32.44 19.99 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.589 -0.694 . . . . 0.0 110.089 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -65.29 -29.15 69.88 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.632 -0.667 . . . . 0.0 110.088 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.86 -25.53 35.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.687 -0.633 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -98.21 24.46 7.15 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.516 -0.74 . . . . 0.0 110.594 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.13 31.1 1.97 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.399 -0.813 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -111.2 -33.06 6.56 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.646 -0.659 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -98.13 31.66 2.67 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.627 -0.671 . . . . 0.0 110.249 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.75 -34.26 5.85 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.638 -0.664 . . . . 0.0 110.26 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 51.1 mtm -94.08 -28.77 15.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.581 -0.699 . . . . 0.0 110.173 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.2 -37.39 75.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.544 -0.723 . . . . 0.0 110.148 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.235 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 ttt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.109 0.48 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.21 55.17 0.3 Allowed Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -101.12 133.3 45.86 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.559 -0.965 . . . . 0.0 110.218 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.56 -173.15 36.53 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -153.19 161.33 29.39 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.564 -0.963 . . . . 0.0 110.242 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -73.33 -42.87 0.8 Allowed 'Trans proline' 0 N--CA 1.487 1.117 0 O-C-N 123.487 1.256 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.54 -41.13 2.03 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.064 0.459 . . . . 0.0 110.177 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -62.75 155.18 71.8 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.537 -0.727 . . . . 0.0 110.138 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.57 -177.68 2.93 Favored 'Trans proline' 0 C--N 1.316 -1.135 0 O-C-N 123.444 1.234 . . . . 0.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -101.01 159.36 15.28 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.491 -0.756 . . . . 0.0 110.176 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.56 -143.49 0.06 OUTLIER Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -136.77 -168.96 2.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.596 -0.944 . . . . 0.0 110.213 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.452 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 24.0 ttm -161.11 123.46 3.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.651 -0.655 . . . . 0.0 110.166 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 t -82.35 -179.84 7.55 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.617 -0.677 . . . . 0.0 110.242 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.5 p -69.07 -28.73 66.79 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.568 -0.707 . . . . 0.0 110.177 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -70.78 -29.15 65.28 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.616 -0.677 . . . . 0.0 110.184 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' HB3' ' HG2' ' A' ' 13' ' ' MET . . . -77.53 -30.28 52.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.491 -0.756 . . . . 0.0 110.045 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -76.99 -29.41 55.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.536 -0.727 . . . . 0.0 110.088 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -62.17 -56.69 16.21 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.576 -0.703 . . . . 0.0 109.949 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.34 -31.39 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.594 -0.691 . . . . 0.0 109.629 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.14 -51.29 39.87 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.579 -0.701 . . . . 0.0 109.832 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 m -69.88 -30.69 68.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.61 -0.681 . . . . 0.0 109.685 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -73.38 -28.65 62.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.622 -0.674 . . . . 0.0 109.917 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -69.18 -42.74 75.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.511 -0.743 . . . . 0.0 109.682 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -62.87 -46.8 86.17 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.625 -0.672 . . . . 0.0 109.643 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -62.74 -25.02 67.98 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.721 -0.612 . . . . 0.0 110.027 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.528 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 57.5 t-80 -95.23 36.3 1.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.514 -0.741 . . . . 0.0 110.113 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -130.12 25.01 5.24 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.135 -0.978 . . . . 0.0 110.885 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -108.39 -60.29 1.75 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.392 -0.817 . . . . 0.0 110.1 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.54 62.07 0.61 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.589 -0.694 . . . . 0.0 110.024 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 13.6 m80 -144.95 54.2 2.4 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 121.368 -0.833 . . . . 0.0 109.782 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.1 Cg_endo -72.36 -49.42 0.28 Allowed 'Trans proline' 0 C--N 1.318 -1.031 0 O-C-N 123.372 1.196 . . . . 0.0 110.431 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -101.89 40.39 1.33 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.597 -0.689 . . . . 0.0 110.236 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -132.14 126.69 34.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.596 -0.69 . . . . 0.0 110.214 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -91.04 145.3 24.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.564 -0.71 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.1 p -144.18 63.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.61 -0.681 . . . . 0.0 110.312 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -58.75 175.02 0.29 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.486 -0.759 . . . . 0.0 109.856 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -63.93 -43.45 95.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.279 -0.888 . . . . 0.0 110.357 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.07 -42.36 72.88 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.23 -0.919 . . . . 0.0 110.659 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.02 -15.5 59.55 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.164 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -113.09 -42.85 3.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 110.805 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.5 p -57.68 -21.69 41.65 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.55 -0.719 . . . . 0.0 110.033 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -88.54 -27.98 21.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.527 -0.733 . . . . 0.0 110.341 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.03 -36.83 21.0 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.527 -0.733 . . . . 0.0 110.841 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.1 p -59.45 -31.53 69.39 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.318 -0.864 . . . . 0.0 110.264 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.6 p -61.28 -36.12 79.18 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.602 -0.687 . . . . 0.0 110.192 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -62.06 -29.36 70.24 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.66 -0.65 . . . . 0.0 110.134 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -94.32 -38.58 10.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.682 -0.636 . . . . 0.0 110.119 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -63.08 -44.29 96.14 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.571 -0.706 . . . . 0.0 110.147 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -66.94 -28.41 68.26 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.666 -0.646 . . . . 0.0 110.21 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.9 p -85.76 -24.21 26.97 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.606 -0.684 . . . . 0.0 110.492 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.6 mmm -58.19 152.65 16.62 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.388 -0.82 . . . . 0.0 110.455 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.1 m -102.97 -176.13 3.0 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.619 -0.675 . . . . 0.0 110.274 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.57 -21.82 62.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.665 -0.647 . . . . 0.0 110.675 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -69.55 -29.98 67.68 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.394 -0.816 . . . . 0.0 109.933 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -99.94 -41.83 7.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.586 -0.697 . . . . 0.0 110.023 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -60.22 -23.86 64.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.663 -0.648 . . . . 0.0 110.384 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -63.6 -31.55 72.76 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.441 -0.787 . . . . 0.0 110.278 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -69.15 -30.39 68.62 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.57 -0.706 . . . . 0.0 110.185 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -88.55 -28.79 20.51 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.571 -0.706 . . . . 0.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -79.17 -28.91 42.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.617 -0.677 . . . . 0.0 110.149 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -76.23 -29.14 57.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.623 -0.673 . . . . 0.0 110.147 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.9 mmt -81.63 -29.78 33.08 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.601 -0.687 . . . . 0.0 110.144 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 13' ' ' MET . . . -81.09 -29.4 34.91 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.642 -0.661 . . . . 0.0 110.154 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -72.9 -30.0 63.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.622 -0.674 . . . . 0.0 110.135 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -63.89 -37.78 88.65 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.606 -0.684 . . . . 0.0 110.054 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.3 -29.29 21.71 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.626 -0.672 . . . . 0.0 110.127 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.73 -30.11 65.26 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.666 -0.646 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.84 -29.09 22.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.66 -0.65 . . . . 0.0 110.246 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -63.17 -31.05 72.1 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.499 -0.751 . . . . 0.0 110.109 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -63.92 -29.38 70.56 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.53 -0.732 . . . . 0.0 110.083 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.93 46.66 1.18 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.543 -0.723 . . . . 0.0 110.211 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -152.1 -44.59 0.11 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.652 -0.655 . . . . 0.0 110.224 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.34 -29.45 62.67 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.573 -0.705 . . . . 0.0 110.188 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 56.3 mmm -85.35 -48.92 8.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.54 -0.725 . . . . 0.0 110.174 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -106.03 107.18 18.05 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.614 -0.679 . . . . 0.0 110.251 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.193 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.168 0.509 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.25 -87.75 1.56 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.44 109.9 21.95 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.561 -0.964 . . . . 0.0 110.209 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.65 -31.25 8.38 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -86.6 164.57 36.9 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.558 -0.966 . . . . 0.0 110.259 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -73.11 -43.15 0.78 Allowed 'Trans proline' 0 C--N 1.318 -1.076 0 O-C-N 123.35 1.184 . . . . 0.0 110.056 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.82 88.58 2.58 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.864 -0.523 . . . . 0.0 110.219 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -160.56 143.01 9.58 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.585 -0.697 . . . . 0.0 110.192 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.88 158.07 46.78 Favored 'Trans proline' 0 C--N 1.319 -1.021 0 O-C-N 123.303 1.159 . . . . 0.0 110.368 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -65.42 -178.39 0.51 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.623 -0.673 . . . . 0.0 110.211 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.24 177.4 52.97 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -169.17 1.67 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.59 -0.947 . . . . 0.0 110.158 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 61.6 mtt -103.01 -168.52 1.53 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.592 -0.692 . . . . 0.0 110.167 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.0 t -162.87 178.84 8.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.622 -0.674 . . . . 0.0 110.225 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -63.03 -29.07 70.53 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.545 -0.722 . . . . 0.0 110.227 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -76.51 -30.6 57.25 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.98 -29.37 39.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.709 . . . . 0.0 110.14 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -81.0 -29.25 35.22 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.576 -0.702 . . . . 0.0 110.121 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -62.19 -47.31 85.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.621 -0.674 . . . . 0.0 109.943 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.47 -35.03 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.585 -0.697 . . . . 0.0 109.803 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.2 -58.61 5.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.518 -0.739 . . . . 0.0 109.969 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.6 m -63.14 -29.61 70.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.516 -0.74 . . . . 0.0 109.996 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 m -75.87 -29.87 58.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.615 -0.678 . . . . 0.0 110.101 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -78.25 -35.53 48.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.574 -0.704 . . . . 0.0 110.054 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.85 -50.18 73.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.602 -0.687 . . . . 0.0 109.893 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.48 -27.15 68.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.688 -0.633 . . . . 0.0 110.11 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -68.49 -28.95 67.47 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.473 -0.767 . . . . 0.0 110.089 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -80.66 60.22 3.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.587 -0.696 . . . . 0.0 110.156 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -152.88 -44.65 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.61 -0.681 . . . . 0.0 110.038 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 13.6 ptpt -119.83 31.66 6.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.679 -0.638 . . . . 0.0 110.246 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 84.3 m-70 -146.08 60.17 6.14 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.682 -0.636 . . . . 0.0 110.021 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.81 -48.1 0.31 Allowed 'Trans proline' 0 C--N 1.317 -1.08 0 O-C-N 123.298 1.157 . . . . 0.0 110.538 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -94.75 59.85 2.44 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.566 -0.708 . . . . 0.0 110.244 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -152.27 -158.83 0.94 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.552 -0.717 . . . . 0.0 110.235 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 m -154.53 161.28 41.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.616 -0.678 . . . . 0.0 110.017 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.3 p -158.37 68.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.574 -0.704 . . . . 0.0 110.439 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -60.43 176.18 0.38 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.49 -0.756 . . . . 0.0 109.618 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -66.78 -42.43 86.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.275 -0.891 . . . . 0.0 110.335 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.38 -43.42 70.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.256 -0.903 . . . . 0.0 110.726 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.02 -16.29 59.32 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.178 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -112.06 -43.7 3.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.259 -0.9 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -55.8 -23.22 28.81 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.433 -0.792 . . . . 0.0 109.984 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -86.61 -26.74 24.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.485 -0.759 . . . . 0.0 110.186 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -84.4 -40.68 17.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.484 -0.76 . . . . 0.0 110.759 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.3 p -57.98 -30.29 65.92 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.4 -0.813 . . . . 0.0 110.318 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.0 p -70.97 -36.31 72.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.691 -0.631 . . . . 0.0 109.932 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.16 -25.03 63.55 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.64 -0.662 . . . . 0.0 110.208 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -102.73 -31.48 10.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.513 -0.742 . . . . 0.0 110.046 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -71.86 -29.63 64.58 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.638 -0.664 . . . . 0.0 110.1 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -27.47 61.93 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.558 -0.714 . . . . 0.0 110.18 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 t -112.25 4.09 17.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.774 . . . . 0.0 111.165 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -168.68 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.203 -0.935 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 m -128.43 152.1 48.6 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.608 -0.683 . . . . 0.0 110.238 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' HA ' ' CG ' ' A' ' 57' ' ' LYS . . . -51.93 -26.12 9.68 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.608 -0.683 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -76.58 -29.77 56.75 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.538 -0.726 . . . . 0.0 110.078 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -81.01 -28.73 35.34 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.607 -0.683 . . . . 0.0 110.19 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 13.6 ptmt -97.36 4.18 50.81 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.625 -0.672 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.1 p -65.85 -29.09 69.49 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.125 -0.984 . . . . 0.0 110.062 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -78.27 -29.61 48.09 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.544 -0.722 . . . . 0.0 110.096 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -85.25 -30.48 23.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.579 -0.7 . . . . 0.0 110.126 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.83 -29.25 65.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.636 -0.665 . . . . 0.0 110.124 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.4 -28.56 26.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.613 -0.679 . . . . 0.0 110.227 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.2 mmm -77.57 -28.73 51.81 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.582 -0.699 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.8 -28.99 40.17 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.542 -0.724 . . . . 0.0 110.22 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -81.13 -28.63 35.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.532 -0.73 . . . . 0.0 110.247 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.1 t -74.49 -29.89 61.6 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.587 -0.696 . . . . 0.0 110.127 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.8 -31.5 23.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.613 -0.68 . . . . 0.0 110.19 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.15 -28.64 68.94 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.606 -0.684 . . . . 0.0 110.212 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.44 -29.27 66.94 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.609 -0.682 . . . . 0.0 110.221 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 ttt85 -65.91 -30.74 71.38 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.541 -0.724 . . . . 0.0 110.126 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -65.52 -26.41 67.89 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.606 -0.684 . . . . 0.0 110.365 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.29 -37.39 80.36 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.533 -0.729 . . . . 0.0 110.32 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -118.13 52.03 1.04 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.59 -0.694 . . . . 0.0 110.21 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -100.4 -49.15 4.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.538 -0.726 . . . . 0.0 110.19 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.3 mmt -110.47 37.06 2.85 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.513 -0.742 . . . . 0.0 110.257 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -100.18 -39.09 8.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.599 -0.688 . . . . 0.0 110.216 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.198 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtm . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.124 0.488 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.6 125.58 8.56 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -158.14 41.46 0.27 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.517 -0.99 . . . . 0.0 110.05 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.0 -50.01 3.39 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.31 161.47 23.23 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.576 -0.955 . . . . 0.0 110.239 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.68 -43.66 0.61 Allowed 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.375 1.197 . . . . 0.0 110.215 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.35 47.26 2.51 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.18 0.514 . . . . 0.0 110.359 -178.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -156.83 150.21 18.9 Favored Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.493 -0.754 . . . . 0.0 110.121 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.69 178.34 6.44 Favored 'Trans proline' 0 C--N 1.318 -1.046 0 O-C-N 123.324 1.17 . . . . 0.0 110.511 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -96.55 176.03 6.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.619 -0.676 . . . . 0.0 110.178 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.61 159.62 38.23 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -81.23 -176.01 5.75 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.578 -0.954 . . . . 0.0 110.179 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.1 mtt -153.21 118.76 5.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.57 -0.706 . . . . 0.0 110.158 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -78.44 179.93 6.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.562 -0.711 . . . . 0.0 110.057 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p -70.29 -28.47 65.22 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.689 -0.632 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -73.51 -32.2 64.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.537 -0.727 . . . . 0.0 110.128 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.9 -46.65 64.96 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.596 -0.69 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.47 -29.16 70.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.636 -0.665 . . . . 0.0 110.098 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.67 -61.35 2.57 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.575 -0.703 . . . . 0.0 110.07 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.0 -29.94 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.55 -0.719 . . . . 0.0 109.744 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -68.43 -50.28 53.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.647 -0.658 . . . . 0.0 110.016 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.0 m -66.56 -29.17 69.19 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.579 -0.701 . . . . 0.0 110.023 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -80.66 -21.18 41.62 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.599 -0.688 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -45.05 65.52 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.402 -0.811 . . . . 0.0 109.684 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -65.93 -43.84 86.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.753 -0.592 . . . . 0.0 109.821 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.44 -26.11 67.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.655 -0.653 . . . . 0.0 110.041 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.554 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 55.0 t-80 -96.48 38.88 1.18 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.549 -0.72 . . . . 0.0 110.068 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.3 tttt -124.24 33.56 5.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.386 -0.821 . . . . 0.0 110.649 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.61 -60.42 1.85 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.808 . . . . 0.0 110.214 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -113.15 64.89 0.64 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.564 -0.71 . . . . 0.0 110.202 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 43.7 m-70 -145.38 60.56 6.95 Favored Pre-proline 0 N--CA 1.501 2.086 0 O-C-N 121.287 -0.883 . . . . 0.0 109.916 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.5 -50.12 0.25 Allowed 'Trans proline' 0 C--N 1.317 -1.131 0 O-C-N 123.248 1.131 . . . . 0.0 110.369 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -122.47 48.32 1.78 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.556 -0.715 . . . . 0.0 110.194 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 t -95.02 -20.58 19.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.676 -0.64 . . . . 0.0 110.734 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 p 52.26 42.17 30.72 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.371 -0.831 . . . . 0.0 110.805 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -71.89 69.2 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.58 -0.7 . . . . 0.0 110.349 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -58.88 -177.9 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.385 -0.822 . . . . 0.0 109.763 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -67.36 -42.74 82.96 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.22 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.509 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -71.5 -41.86 68.74 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.182 -0.949 . . . . 0.0 110.535 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -15.82 58.95 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.021 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' HB2' HG22 ' A' ' 36' ' ' VAL . 23.9 t80 -113.38 -45.82 3.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 110.893 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.509 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 84.9 p -56.41 -24.0 42.07 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.533 -0.729 . . . . 0.0 110.216 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -76.22 -30.0 57.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.641 -0.662 . . . . 0.0 109.733 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -85.13 -43.11 14.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.575 -0.703 . . . . 0.0 110.196 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 50.8 m -61.31 -29.78 70.09 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.538 -0.726 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -69.98 -34.44 73.36 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.574 -0.704 . . . . 0.0 109.809 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.5 -28.55 69.92 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.624 -0.672 . . . . 0.0 110.017 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -93.05 -40.43 10.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.592 -0.692 . . . . 0.0 109.952 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -61.93 -45.36 94.03 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.589 -0.694 . . . . 0.0 109.817 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -67.23 -27.27 67.09 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.565 -0.709 . . . . 0.0 110.388 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -103.48 3.27 34.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.522 -0.736 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.0 mmm -69.03 141.6 54.79 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.126 -0.984 . . . . 0.0 110.166 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.0 m -66.65 153.21 43.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.537 -0.727 . . . . 0.0 110.266 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.93 67.95 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.652 -0.655 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -73.67 -28.37 61.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.582 -0.699 . . . . 0.0 110.161 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.47 -52.4 7.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.591 -0.693 . . . . 0.0 110.148 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -62.1 -18.69 61.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.563 -0.71 . . . . 0.0 110.815 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.8 p -55.79 -27.14 49.59 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.233 -0.917 . . . . 0.0 110.628 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -75.7 -29.45 58.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.567 -0.708 . . . . 0.0 110.081 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -85.08 -29.48 24.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.587 -0.696 . . . . 0.0 110.092 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -76.68 -29.57 56.38 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.626 -0.671 . . . . 0.0 110.137 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.26 -29.15 42.47 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.556 -0.715 . . . . 0.0 110.118 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.5 mtp -78.96 -30.2 44.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.601 -0.687 . . . . 0.0 110.096 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.8 46.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.648 -0.657 . . . . 0.0 110.1 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -73.25 -29.8 63.02 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 110.104 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.1 t -62.91 -35.83 81.35 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.576 -0.702 . . . . 0.0 110.048 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.1 -30.94 23.62 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.615 -0.678 . . . . 0.0 110.09 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -70.32 -33.57 71.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.569 -0.707 . . . . 0.0 110.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.3 -29.53 28.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.587 -0.696 . . . . 0.0 110.181 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -69.47 -28.54 66.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.52 -0.738 . . . . 0.0 110.182 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.08 -29.62 69.85 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.591 -0.693 . . . . 0.0 110.157 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -96.9 37.48 1.3 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.667 -0.645 . . . . 0.0 110.218 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -150.83 -59.95 0.18 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.557 -0.715 . . . . 0.0 110.281 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -68.99 -33.18 73.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.619 -0.676 . . . . 0.0 110.256 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -30.28 58.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.527 -0.733 . . . . 0.0 110.219 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -87.11 176.93 7.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.59 -0.694 . . . . 0.0 110.193 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 t30 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.214 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtp . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.051 0.453 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.06 -172.55 36.57 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttp 52.95 46.86 25.92 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.412 -1.052 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.83 169.48 26.14 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.44 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.22 -60.36 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.527 -0.984 . . . . 0.0 110.371 179.781 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.3 Cg_endo -73.2 -43.17 0.76 Allowed 'Trans proline' 0 N--CA 1.487 1.094 0 O-C-N 123.02 1.01 . . . . 0.0 110.225 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.48 -49.65 1.65 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.953 -0.467 . . . . 0.0 110.333 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -76.82 145.0 73.7 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.497 -0.752 . . . . 0.0 110.128 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.03 170.26 20.22 Favored 'Trans proline' 0 C--N 1.318 -1.07 0 O-C-N 123.353 1.186 . . . . 0.0 110.457 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -167.27 41.45 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.57 -0.706 . . . . 0.0 110.157 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.62 162.11 36.82 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -91.07 -168.21 2.01 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.643 -0.916 . . . . 0.0 110.179 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttm -160.85 -162.76 0.96 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.586 -0.697 . . . . 0.0 110.139 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 t -146.25 178.34 8.32 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.579 -0.7 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -70.45 -28.57 65.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.52 -0.738 . . . . 0.0 110.164 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -69.72 -28.4 65.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.555 -0.716 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.9 -31.42 56.72 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.552 -0.717 . . . . 0.0 110.113 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -82.74 -28.83 30.18 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.543 -0.723 . . . . 0.0 110.246 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -66.26 -38.63 88.29 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 0.0 110.141 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.9 t -80.27 -33.15 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.528 -0.733 . . . . 0.0 109.951 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -69.5 -29.14 66.71 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.551 -0.718 . . . . 0.0 110.198 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.8 m -84.26 -29.38 26.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.587 -0.696 . . . . 0.0 110.224 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 m -89.71 -29.37 18.79 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.605 -0.684 . . . . 0.0 110.188 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.83 -37.65 58.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.524 -0.735 . . . . 0.0 110.059 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -66.34 -33.62 76.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.603 -0.686 . . . . 0.0 110.06 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -88.96 -0.07 57.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.49 -0.757 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -86.4 -53.32 5.07 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.187 -0.946 . . . . 0.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -58.62 -28.3 65.51 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.601 -0.687 . . . . 0.0 110.467 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -62.49 -27.02 68.84 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.572 -0.705 . . . . 0.0 110.271 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 14.3 ptpt -128.54 16.88 6.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.487 -0.758 . . . . 0.0 111.137 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.435 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 59.5 m-70 -143.42 58.86 6.88 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.292 -0.88 . . . . 0.0 110.075 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.04 -30.33 10.93 Favored 'Trans proline' 0 C--N 1.316 -1.14 0 O-C-N 123.34 1.179 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -82.6 -44.96 15.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.595 -0.691 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 p -79.9 147.72 31.56 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.609 -0.682 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.9 t -92.17 -177.59 4.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.66 -0.65 . . . . 0.0 110.178 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.8 p -167.4 65.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.546 -0.721 . . . . 0.0 110.208 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -58.63 -174.34 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.495 -0.753 . . . . 0.0 109.594 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -72.62 -41.72 65.24 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.399 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.89 -44.13 70.36 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.208 -0.932 . . . . 0.0 110.944 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.95 -16.19 58.46 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.177 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -112.3 -43.39 3.53 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.889 . . . . 0.0 110.927 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.4 p -57.81 -21.39 41.89 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.533 -0.729 . . . . 0.0 110.077 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -87.87 -27.28 22.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.535 -0.728 . . . . 0.0 110.498 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -85.11 -38.23 19.33 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.56 -0.713 . . . . 0.0 110.745 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.9 p -59.72 -32.21 70.33 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.356 -0.84 . . . . 0.0 110.38 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -35.4 80.15 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.615 -0.678 . . . . 0.0 110.36 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.47 -30.12 70.4 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.457 -0.777 . . . . 0.0 109.986 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -94.63 -30.98 14.05 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.646 -0.659 . . . . 0.0 110.022 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -70.28 -47.07 62.85 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.684 -0.635 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -67.34 -27.27 66.99 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.568 -0.708 . . . . 0.0 110.31 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.5 p -85.59 -24.33 27.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.496 -0.752 . . . . 0.0 110.603 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.7 mmm -58.18 154.23 13.48 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.423 -0.798 . . . . 0.0 110.403 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.5 p -97.53 175.8 6.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.559 -0.713 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.12 -26.47 64.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.698 -0.626 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -68.83 -31.35 70.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.437 -0.789 . . . . 0.0 109.748 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -96.12 -42.28 8.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.651 -0.656 . . . . 0.0 109.78 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -61.23 -23.95 66.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.732 -0.605 . . . . 0.0 110.296 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.1 p -62.83 -30.78 71.75 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.47 -0.769 . . . . 0.0 110.207 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -61.98 -30.12 70.72 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.505 -0.747 . . . . 0.0 110.194 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -89.84 -28.9 18.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.621 -0.674 . . . . 0.0 110.188 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.89 -29.96 35.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.57 -0.706 . . . . 0.0 110.147 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -73.97 -28.75 61.64 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.599 -0.688 . . . . 0.0 110.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.2 mtm -83.92 -29.04 27.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.552 -0.717 . . . . 0.0 110.199 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.27 -38.09 43.5 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.61 -0.681 . . . . 0.0 110.145 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -66.15 -29.16 69.4 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.582 -0.699 . . . . 0.0 110.145 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 t -65.02 -53.76 40.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.5 -0.75 . . . . 0.0 110.153 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.88 -28.83 62.73 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.555 -0.715 . . . . 0.0 110.173 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -68.82 -28.63 66.92 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.527 -0.733 . . . . 0.0 110.228 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.74 -27.78 13.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.601 -0.687 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -60.51 -33.38 72.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.536 -0.728 . . . . 0.0 110.272 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.62 -27.64 68.81 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.588 -0.695 . . . . 0.0 110.269 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.51 -28.28 46.25 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.563 -0.71 . . . . 0.0 110.275 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 -111.12 36.9 3.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.583 -0.698 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -131.09 -43.49 1.06 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.505 -0.747 . . . . 0.0 110.182 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 76.2 mmm -87.79 -28.73 21.5 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.634 -0.666 . . . . 0.0 110.24 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -80.82 -49.35 11.2 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.598 -0.689 . . . . 0.0 110.197 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.174 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.006 0.432 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.58 100.32 0.2 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -93.34 -48.69 6.3 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.564 -0.962 . . . . 0.0 110.23 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.59 -135.09 6.97 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -152.14 57.6 2.26 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.597 -0.943 . . . . 0.0 110.179 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.08 -42.74 0.9 Allowed 'Trans proline' 0 C--N 1.316 -1.146 0 O-C-N 123.358 1.189 . . . . 0.0 110.122 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.76 -51.77 0.51 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.907 -0.496 . . . . 0.0 110.195 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -97.53 161.38 26.1 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 0.0 110.324 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.75 -165.39 0.23 Allowed 'Trans proline' 0 C--N 1.317 -1.09 0 O-C-N 123.431 1.227 . . . . 0.0 110.352 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -79.8 149.04 31.18 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.644 -0.66 . . . . 0.0 110.175 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.87 136.87 23.42 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -63.8 172.79 2.04 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.557 -0.967 . . . . 0.0 110.21 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.443 ' CB ' ' CE2' ' A' ' 18' ' ' PHE . 12.1 mtt -158.56 114.82 2.72 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.596 -0.69 . . . . 0.0 110.164 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -69.61 -178.98 1.58 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.583 -0.698 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.2 p -69.94 -29.1 66.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.542 -0.723 . . . . 0.0 110.161 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -75.81 -29.23 58.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.566 -0.708 . . . . 0.0 110.082 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.54 -30.53 52.83 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.601 -0.687 . . . . 0.0 110.03 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.443 ' CE2' ' CB ' ' A' ' 13' ' ' MET . 4.3 m-85 -76.89 -29.37 55.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.661 -0.649 . . . . 0.0 110.016 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.77 -54.5 38.11 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.541 -0.725 . . . . 0.0 110.139 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.2 -31.55 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.598 -0.689 . . . . 0.0 109.791 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -70.45 -47.83 58.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.709 . . . . 0.0 109.903 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.7 m -75.69 -29.62 59.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.521 -0.737 . . . . 0.0 110.006 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -72.44 -26.56 61.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.589 -0.694 . . . . 0.0 110.213 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -67.92 -46.49 71.39 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.573 -0.705 . . . . 0.0 109.576 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.32 -42.15 98.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.708 -0.62 . . . . 0.0 109.508 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.3 -24.15 67.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.72 -0.612 . . . . 0.0 109.919 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.557 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 57.0 t-80 -96.1 37.6 1.23 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.502 -0.749 . . . . 0.0 109.964 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.0 tttt -127.33 40.5 3.69 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.25 -0.906 . . . . 0.0 110.535 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -125.86 -45.02 1.76 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.47 -0.769 . . . . 0.0 110.172 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.58 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -127.43 61.05 1.39 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.646 -0.659 . . . . 0.0 110.034 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.58 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 42.4 m-70 -144.99 53.58 2.09 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.355 -0.841 . . . . 0.0 109.828 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.04 -50.67 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 O-C-N 123.326 1.172 . . . . 0.0 110.532 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -91.49 -28.53 17.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.632 -0.668 . . . . 0.0 110.226 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 m -79.66 124.33 28.46 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.61 -0.681 . . . . 0.0 110.238 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.6 m -88.29 -178.6 5.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.609 -0.682 . . . . 0.0 110.043 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.6 p -167.69 60.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.582 -0.699 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -58.19 -175.13 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.31 -0.869 . . . . 0.0 109.678 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' SER . 98.6 m-85 -64.65 -60.58 2.95 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.419 -0.8 . . . . 0.0 111.071 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.78 -55.2 24.65 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.381 -0.824 . . . . 0.0 112.297 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -52.9 -24.36 9.04 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.218 -0.926 . . . . 0.0 110.3 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -104.01 -14.54 15.9 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.626 -0.671 . . . . 0.0 110.758 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' PHE . 13.5 p -79.04 -26.71 43.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.354 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -86.37 -26.44 24.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.708 -0.62 . . . . 0.0 110.189 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -83.62 -42.71 16.42 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.546 -0.722 . . . . 0.0 110.703 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -58.25 -33.05 68.94 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.39 -0.819 . . . . 0.0 110.505 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.7 p -65.11 -37.05 86.21 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.68 -0.638 . . . . 0.0 110.014 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -62.87 -32.12 73.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.63 -0.668 . . . . 0.0 109.981 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.28 -42.02 12.53 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.607 -0.683 . . . . 0.0 109.996 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -63.43 -32.84 74.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.595 -0.691 . . . . 0.0 110.026 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -77.29 -29.1 53.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.566 -0.709 . . . . 0.0 110.145 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -92.11 -17.63 24.69 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.592 -0.692 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.4 mmm -56.22 164.4 1.31 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.298 -0.876 . . . . 0.0 110.529 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -107.24 175.24 5.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.632 -0.668 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.91 -24.77 65.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.564 -0.71 . . . . 0.0 110.551 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -68.57 -30.57 69.36 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.379 -0.826 . . . . 0.0 109.901 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -96.22 -44.92 7.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.683 -0.635 . . . . 0.0 109.948 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -61.56 -23.24 65.84 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.693 -0.629 . . . . 0.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 p -67.51 -31.57 71.79 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.416 -0.803 . . . . 0.0 110.292 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.69 -29.11 69.61 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.465 -0.772 . . . . 0.0 110.184 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -86.74 -29.38 22.41 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.67 -0.644 . . . . 0.0 110.301 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -67.84 -29.41 68.54 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.615 -0.678 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.81 -28.28 44.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.572 -0.705 . . . . 0.0 110.284 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.5 mtt -70.05 -30.76 68.12 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.513 -0.742 . . . . 0.0 110.243 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.33 22.26 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.667 -0.646 . . . . 0.0 110.153 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -28.48 69.2 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.547 -0.72 . . . . 0.0 110.232 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 t -61.41 -46.72 88.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 0.0 110.186 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.97 -29.88 39.64 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.57 -0.706 . . . . 0.0 110.153 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -62.3 -28.84 70.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.582 -0.698 . . . . 0.0 110.148 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.83 -28.88 20.11 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.586 -0.696 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -78.9 -28.67 44.02 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.61 -0.681 . . . . 0.0 110.212 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -61.51 -29.47 70.01 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.567 -0.708 . . . . 0.0 110.205 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -98.4 47.87 0.99 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.576 -0.703 . . . . 0.0 110.222 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -158.18 -43.73 0.06 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.572 -0.705 . . . . 0.0 110.249 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.64 -23.7 34.14 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.552 -0.717 . . . . 0.0 110.542 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.74 40.49 1.09 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.38 -0.825 . . . . 0.0 110.336 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -122.7 157.75 31.6 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.584 -0.697 . . . . 0.0 110.176 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.5 m120 . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.259 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 mtp . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.053 0.454 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.17 83.51 0.05 OUTLIER Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -100.75 -175.23 2.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.609 -0.936 . . . . 0.0 110.199 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.31 157.29 44.12 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.52 164.13 23.1 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.602 -0.94 . . . . 0.0 110.16 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -73.39 -43.39 0.69 Allowed 'Trans proline' 0 C--N 1.317 -1.11 0 O-C-N 123.394 1.207 . . . . 0.0 110.104 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.85 42.91 2.9 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.267 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -142.86 148.06 44.27 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.503 -0.748 . . . . 0.0 110.136 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.81 160.97 45.0 Favored 'Trans proline' 0 C--N 1.317 -1.082 0 O-C-N 123.393 1.207 . . . . 0.0 110.374 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -103.95 30.45 5.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.657 -0.652 . . . . 0.0 110.262 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.79 -141.31 15.41 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -130.5 -167.15 1.78 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.962 . . . . 0.0 110.151 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -131.95 118.23 19.5 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.605 -0.684 . . . . 0.0 110.179 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.483 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 6.3 t -91.07 179.09 5.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.563 -0.711 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.1 p -69.06 -27.62 65.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.606 -0.684 . . . . 0.0 110.333 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -60.48 -28.35 68.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 110.229 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -29.42 51.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 110.169 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -82.63 -28.92 30.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.642 -0.661 . . . . 0.0 110.169 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 52.9 t80 -66.35 -56.14 12.56 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.28 -28.85 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.531 -0.731 . . . . 0.0 109.852 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -71.55 -47.69 53.37 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.606 -0.684 . . . . 0.0 110.149 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -65.27 -29.43 70.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.609 -0.682 . . . . 0.0 110.186 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.6 m -84.35 -27.99 27.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.532 -0.73 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.33 -39.05 65.55 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.608 -0.682 . . . . 0.0 110.125 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -61.94 -54.6 39.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.65 -0.656 . . . . 0.0 110.067 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.75 -28.77 68.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.605 -0.684 . . . . 0.0 110.198 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -69.5 -35.3 75.4 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.661 -0.649 . . . . 0.0 110.138 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -63.82 -58.67 6.1 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.608 -0.683 . . . . 0.0 110.39 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -58.68 -24.97 62.34 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.484 -0.76 . . . . 0.0 110.514 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.669 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 1.4 tttm -91.81 -21.29 20.74 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.575 -0.703 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.669 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 40.4 m80 -131.52 85.79 51.52 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 121.284 -0.885 . . . . 0.0 110.043 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.95 -29.4 10.22 Favored 'Trans proline' 0 C--N 1.317 -1.111 0 O-C-N 123.484 1.255 . . . . 0.0 110.789 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -124.0 73.08 1.2 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.483 -0.761 . . . . 0.0 110.492 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -160.32 134.79 7.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.562 -0.711 . . . . 0.0 110.125 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.8 p -81.75 131.95 35.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.58 -0.7 . . . . 0.0 110.022 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.1 p -144.07 66.8 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.642 -0.661 . . . . 0.0 110.43 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -59.98 -167.67 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.365 -0.834 . . . . 0.0 109.586 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -71.0 -41.08 71.42 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.886 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.423 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -72.18 -44.01 63.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.109 -0.995 . . . . 0.0 110.999 -179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.89 -16.65 52.33 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.081 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.484 ' HB2' HG22 ' A' ' 36' ' ' VAL . 19.8 t80 -112.57 -48.11 3.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.372 -0.83 . . . . 0.0 111.257 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.423 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 80.9 p -55.81 -24.08 33.95 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.336 -0.852 . . . . 0.0 110.392 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.75 -28.74 67.07 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.596 -0.69 . . . . 0.0 109.9 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -91.28 -46.39 8.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.534 -0.729 . . . . 0.0 110.3 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 68.9 m -61.17 -28.87 69.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.498 -0.751 . . . . 0.0 110.144 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 p -64.58 -40.53 95.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.55 -0.719 . . . . 0.0 110.004 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.42 -28.82 70.24 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.611 -0.681 . . . . 0.0 110.162 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -88.83 -43.82 10.94 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.526 -0.734 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.428 ' CH2' ' HB2' ' A' ' 57' ' ' LYS . 60.2 t-105 -61.07 -49.69 76.3 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.561 -0.712 . . . . 0.0 110.316 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -63.27 -26.11 68.63 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.609 -0.682 . . . . 0.0 110.523 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.5 p -89.72 -26.06 20.85 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.56 -0.713 . . . . 0.0 110.56 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.3 mmm -59.67 130.29 46.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.476 -0.765 . . . . 0.0 110.345 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.5 m -79.62 157.92 27.19 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.557 -0.714 . . . . 0.0 110.03 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.39 -26.67 8.23 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.489 -0.757 . . . . 0.0 110.908 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -73.34 -27.22 61.39 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.607 -0.683 . . . . 0.0 110.013 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -90.14 -35.54 15.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.51 -0.743 . . . . 0.0 110.221 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 51.3 pttt -95.63 28.68 2.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.521 -0.737 . . . . 0.0 110.543 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.4 p -79.79 -29.48 40.38 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.492 -0.755 . . . . 0.0 110.227 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -73.31 -29.51 62.75 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.524 -0.735 . . . . 0.0 110.115 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -81.59 -31.42 32.56 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.56 -0.713 . . . . 0.0 110.122 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -77.27 -28.63 53.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.621 -0.674 . . . . 0.0 110.239 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -78.7 -28.84 45.19 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.642 -0.661 . . . . 0.0 110.16 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.6 mmt -79.94 -29.67 39.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.637 -0.664 . . . . 0.0 110.158 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -77.27 -36.52 54.24 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.555 -0.716 . . . . 0.0 110.125 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -66.76 -28.97 68.83 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 t -61.28 -39.63 91.11 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.612 -0.68 . . . . 0.0 110.162 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.53 -28.63 20.65 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.634 -0.666 . . . . 0.0 110.199 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -66.72 -32.43 73.74 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.475 -0.766 . . . . 0.0 110.201 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.69 -28.99 36.55 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.518 -0.739 . . . . 0.0 110.153 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -63.12 -28.67 70.23 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.546 -0.722 . . . . 0.0 110.182 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -61.16 -27.61 68.53 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.605 -0.684 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.28 -36.98 79.09 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.526 -0.734 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.7 mtt-85 -105.82 41.23 1.42 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.537 -0.727 . . . . 0.0 110.103 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -113.69 -59.05 2.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.606 -0.683 . . . . 0.0 110.255 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.9 mmt -107.12 -33.21 7.52 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.639 -0.663 . . . . 0.0 110.202 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -88.05 124.27 33.59 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.541 -0.724 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.179 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.061 0.458 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.82 -157.06 26.2 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.8 tttt 52.88 38.83 27.88 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.428 -1.042 . . . . 0.0 110.816 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.65 -31.16 50.99 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.77 167.09 11.07 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.547 -0.972 . . . . 0.0 110.232 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.5 -43.21 0.7 Allowed 'Trans proline' 0 C--N 1.317 -1.089 0 O-C-N 123.461 1.243 . . . . 0.0 110.105 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.79 44.68 2.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.845 -0.534 . . . . 0.0 110.181 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -161.3 91.08 1.51 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.555 -0.716 . . . . 0.0 110.161 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.61 161.44 44.01 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 123.413 1.218 . . . . 0.0 110.387 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.11 113.95 6.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.565 -0.709 . . . . 0.0 110.241 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.09 45.22 0.45 Allowed Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -106.46 -168.96 1.49 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.482 -1.011 . . . . 0.0 110.174 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.4 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 7.4 mmt -131.04 178.28 6.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.625 -0.672 . . . . 0.0 110.216 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -154.86 44.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.592 -0.693 . . . . 0.0 110.229 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p 67.23 -60.58 0.37 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.682 -0.636 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -60.67 -28.25 68.45 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.173 -0.955 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -29.42 61.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.465 -0.772 . . . . 0.0 110.179 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.4 ' CE2' ' HG3' ' A' ' 13' ' ' MET . 3.8 m-85 -81.19 -28.76 34.82 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.528 -0.733 . . . . 0.0 110.15 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.04 -49.92 68.27 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.605 -0.684 . . . . 0.0 110.157 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.61 -28.53 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.587 -0.695 . . . . 0.0 109.926 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -74.35 -28.57 61.19 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.467 -0.771 . . . . 0.0 110.206 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 m -94.87 -27.82 15.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.621 -0.675 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 m -81.36 -28.28 34.52 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.546 -0.721 . . . . 0.0 110.284 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -73.65 -37.02 65.44 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.533 -0.729 . . . . 0.0 110.199 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.43 -50.67 64.56 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.528 -0.732 . . . . 0.0 110.153 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.76 -24.04 66.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.613 -0.679 . . . . 0.0 110.411 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -73.26 -40.6 64.49 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.473 -0.767 . . . . 0.0 110.41 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -69.55 -20.05 63.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.553 -0.717 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -78.09 -24.5 47.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.313 -0.867 . . . . 0.0 110.855 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 10.4 ptpt -118.17 17.81 13.91 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.335 -0.853 . . . . 0.0 111.241 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 60.7 m-70 -144.16 79.21 13.16 Favored Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 121.285 -0.885 . . . . 0.0 110.247 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.9 -42.51 0.77 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.404 1.213 . . . . 0.0 110.354 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -109.96 66.4 0.63 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.562 -0.711 . . . . 0.0 110.324 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -153.12 127.31 9.12 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.505 -0.747 . . . . 0.0 110.141 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.8 m -82.9 131.23 35.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.526 -0.734 . . . . 0.0 110.204 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.9 p -141.56 65.25 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.597 -0.69 . . . . 0.0 110.332 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.0 -170.01 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.435 -0.791 . . . . 0.0 109.688 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' SER . 84.3 m-85 -68.38 -43.71 76.75 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 119.454 -0.899 . . . . 0.0 110.755 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -69.13 -45.5 70.0 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.025 -1.047 . . . . 0.0 111.241 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.55 -16.6 49.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.389 -0.819 . . . . 0.0 110.284 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.526 ' HB2' HG22 ' A' ' 36' ' ' VAL . 32.0 t80 -112.41 -44.34 3.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 0.0 111.003 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.487 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 88.6 p -56.63 -22.38 33.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.519 -0.738 . . . . 0.0 110.202 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -82.65 -25.02 33.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.522 -0.736 . . . . 0.0 110.505 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -84.66 -43.26 14.54 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.465 -0.772 . . . . 0.0 110.964 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -58.44 -29.15 65.93 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.359 -0.838 . . . . 0.0 110.431 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.3 p -67.1 -33.39 75.36 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.627 -0.671 . . . . 0.0 110.133 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.53 -33.88 71.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.51 -0.744 . . . . 0.0 110.077 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -28.2 19.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.647 -0.658 . . . . 0.0 110.095 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -74.78 -33.53 62.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.526 -0.734 . . . . 0.0 110.309 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -83.04 -27.91 29.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.461 -0.775 . . . . 0.0 110.414 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.6 p -81.48 -26.19 35.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.556 -0.715 . . . . 0.0 110.36 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 36.2 mtp -59.38 164.88 3.05 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.399 -0.813 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.4 t -100.86 175.83 5.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.586 -0.696 . . . . 0.0 110.278 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.73 -24.51 63.56 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.607 -0.683 . . . . 0.0 110.481 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.98 -31.44 71.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.479 -0.763 . . . . 0.0 109.832 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.93 -41.37 9.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.712 -0.618 . . . . 0.0 109.869 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -66.46 -21.23 66.19 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.725 -0.61 . . . . 0.0 110.434 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 p -73.18 -29.61 62.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.346 -0.846 . . . . 0.0 110.255 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -61.67 -29.19 69.92 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.587 -0.696 . . . . 0.0 110.093 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -83.25 -29.23 28.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.635 -0.665 . . . . 0.0 110.185 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.04 -28.95 57.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.57 -0.706 . . . . 0.0 110.216 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.05 -28.6 57.72 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.601 -0.687 . . . . 0.0 110.233 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.9 mmt -78.83 -29.47 44.72 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.499 -0.751 . . . . 0.0 110.182 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.28 52.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.567 -0.708 . . . . 0.0 110.169 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -67.18 -29.53 69.24 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.596 -0.69 . . . . 0.0 110.148 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 t -62.1 -38.56 89.35 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.59 -0.694 . . . . 0.0 110.081 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -85.48 -30.13 23.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.539 -0.726 . . . . 0.0 110.118 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -70.8 -33.2 70.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.576 -0.702 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.27 -28.12 56.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.608 -0.682 . . . . 0.0 110.258 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 -95.34 23.57 5.77 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.475 -0.765 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -114.45 -26.11 8.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.398 -0.814 . . . . 0.0 110.531 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.25 -29.68 70.58 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.448 -0.782 . . . . 0.0 110.169 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.75 -33.53 68.75 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.565 -0.71 . . . . 0.0 110.173 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.63 -29.46 64.68 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.561 -0.712 . . . . 0.0 110.247 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 25.4 mtt -71.67 -29.21 64.35 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.554 -0.716 . . . . 0.0 110.227 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -66.13 153.56 42.03 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.623 -0.673 . . . . 0.0 110.098 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.223 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ttm . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.086 0.47 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.17 114.55 0.62 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -144.06 89.58 2.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.552 -0.969 . . . . 0.0 110.163 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.05 -33.69 4.85 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.38 172.79 0.04 OUTLIER Pre-proline 0 N--CA 1.502 2.132 0 O-C-N 121.486 -1.008 . . . . 0.0 110.679 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -74.44 -42.39 0.66 Allowed 'Trans proline' 0 C--N 1.318 -1.071 0 O-C-N 123.339 1.179 . . . . 0.0 110.346 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.9 -156.86 0.78 Allowed 'General case' 0 C--N 1.307 -1.257 0 O-C-N 121.789 -0.569 . . . . 0.0 109.749 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 mttp 57.51 166.21 0.07 OUTLIER Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.602 -0.687 . . . . 0.0 110.679 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.26 -165.89 0.29 Allowed 'Trans proline' 0 C--N 1.317 -1.083 0 O-C-N 123.313 1.165 . . . . 0.0 110.63 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -98.8 165.7 11.66 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.642 -0.661 . . . . 0.0 110.192 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -169.52 26.07 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -108.62 -167.16 1.19 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.602 -0.94 . . . . 0.0 110.105 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 39.9 mtt -139.45 -168.21 2.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.635 -0.666 . . . . 0.0 110.108 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -146.66 178.35 8.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.576 -0.702 . . . . 0.0 110.121 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.2 p -77.39 -28.49 52.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.538 -0.726 . . . . 0.0 110.212 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -75.86 -29.17 58.44 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.523 -0.736 . . . . 0.0 110.201 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.39 -38.76 63.03 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.566 -0.709 . . . . 0.0 110.102 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.17 -29.04 65.83 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.627 -0.67 . . . . 0.0 110.039 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -61.73 -58.46 7.93 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.0 110.058 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.44 -36.69 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.571 -0.706 . . . . 0.0 109.706 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -63.64 -44.72 93.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.52 -0.738 . . . . 0.0 109.961 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.3 m -78.08 -29.46 49.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.585 -0.697 . . . . 0.0 110.029 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.1 m -74.76 -27.48 60.36 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.505 -0.747 . . . . 0.0 110.155 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.32 -43.55 66.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.499 -0.751 . . . . 0.0 109.674 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -62.72 -43.29 99.18 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.692 -0.63 . . . . 0.0 109.74 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -25.38 67.43 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.735 -0.603 . . . . 0.0 110.055 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.528 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 57.8 t-80 -95.4 37.39 1.19 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.497 -0.752 . . . . 0.0 109.901 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 41.41 3.48 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.233 -0.917 . . . . 0.0 110.503 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -127.05 -42.55 1.72 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.486 -0.759 . . . . 0.0 110.066 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.24 61.08 1.6 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.67 -0.644 . . . . 0.0 109.956 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 17.8 m80 -144.79 53.72 2.23 Favored Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.388 -0.82 . . . . 0.0 109.799 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.4 Cg_endo -72.86 -50.54 0.21 Allowed 'Trans proline' 0 C--N 1.316 -1.138 0 O-C-N 123.354 1.186 . . . . 0.0 110.504 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -84.81 -28.06 26.38 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.526 -0.734 . . . . 0.0 110.377 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -87.56 129.51 35.07 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 0.0 110.191 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.5 p -91.86 -173.21 3.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.548 -0.72 . . . . 0.0 109.931 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.2 p -167.31 65.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.51 -0.744 . . . . 0.0 110.503 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -60.61 179.84 0.15 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.363 -0.836 . . . . 0.0 109.701 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -68.74 -45.08 72.4 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.328 -0.858 . . . . 0.0 110.19 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.25 -41.95 69.46 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.276 -0.89 . . . . 0.0 110.494 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -63.4 -16.09 59.5 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.964 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -112.39 -45.84 3.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.0 p -55.95 -23.62 33.15 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.637 -0.664 . . . . 0.0 110.117 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -79.47 -30.16 41.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.512 -0.743 . . . . 0.0 109.676 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -85.31 -43.42 13.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.665 -0.647 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.1 m -60.91 -29.41 69.58 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.48 -0.762 . . . . 0.0 109.986 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.7 p -67.72 -34.65 77.28 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.534 -0.729 . . . . 0.0 109.796 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.07 -29.34 70.48 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.695 -0.628 . . . . 0.0 109.972 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.2 ttt-85 -91.96 -35.53 13.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.632 -0.667 . . . . 0.0 110.052 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.404 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 72.2 t-105 -66.9 -48.82 67.54 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.628 -0.67 . . . . 0.0 110.046 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -66.39 -26.97 67.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.541 -0.725 . . . . 0.0 110.478 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.1 p -89.24 -27.14 20.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.471 -0.768 . . . . 0.0 110.386 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 mtp -59.76 153.8 19.64 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.486 -0.759 . . . . 0.0 110.245 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.5 t -100.97 -178.34 3.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.523 -0.736 . . . . 0.0 110.347 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.16 -21.28 65.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.649 -0.657 . . . . 0.0 110.714 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -68.98 -29.47 67.68 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.356 -0.84 . . . . 0.0 109.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -102.66 -39.37 7.08 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.646 -0.659 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 35.2 mtmt -70.03 -18.9 63.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.704 -0.623 . . . . 0.0 110.568 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 p -60.02 -30.16 68.97 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.388 -0.82 . . . . 0.0 110.391 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -66.87 -28.92 68.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.627 -0.67 . . . . 0.0 110.255 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.17 -28.66 21.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.602 -0.686 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.5 -28.64 63.01 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.517 -0.739 . . . . 0.0 110.178 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.66 -28.36 36.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.589 -0.694 . . . . 0.0 110.19 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 61.3 mtp -76.56 -31.41 57.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.6 -0.688 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.04 -39.25 61.1 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.563 -0.711 . . . . 0.0 110.123 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -65.08 -29.59 70.48 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.643 -0.661 . . . . 0.0 110.118 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -61.8 -39.27 91.14 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.574 -0.704 . . . . 0.0 110.091 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -83.25 -29.32 28.53 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.616 -0.678 . . . . 0.0 110.15 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.62 -29.1 67.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.638 -0.664 . . . . 0.0 110.061 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.16 -25.08 39.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.6 -0.687 . . . . 0.0 110.392 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -58.59 -27.85 65.02 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.484 -0.76 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -63.9 -29.4 70.58 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.538 -0.726 . . . . 0.0 110.109 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.97 45.38 1.14 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.599 -0.688 . . . . 0.0 110.216 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.8 mtt85 -141.89 -55.38 0.46 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.539 -0.725 . . . . 0.0 110.182 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -71.61 -32.64 68.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.547 -0.721 . . . . 0.0 110.271 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.6 mmt -90.65 -59.11 2.26 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.567 -0.708 . . . . 0.0 110.193 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -109.74 123.02 48.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.56 -0.712 . . . . 0.0 110.234 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.195 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 mmt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.085 0.469 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.2 -140.83 3.01 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.5 tttt 52.86 86.53 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.458 -1.025 . . . . 0.0 110.75 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.21 146.24 31.67 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.414 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -73.51 -57.09 2.78 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.623 -0.928 . . . . 0.0 110.41 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 5' ' ' ASP . 55.2 Cg_endo -73.99 -42.91 0.65 Allowed 'Trans proline' 0 N--CA 1.486 1.082 0 O-C-N 123.203 1.107 . . . . 0.0 110.102 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.55 -158.88 0.89 Allowed 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -141.89 62.27 14.15 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.658 -0.651 . . . . 0.0 110.244 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.82 121.04 6.71 Favored 'Trans proline' 0 C--N 1.317 -1.087 0 O-C-N 123.311 1.164 . . . . 0.0 110.344 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -99.9 30.41 3.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.564 -0.71 . . . . 0.0 110.172 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.92 -167.79 54.85 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -123.78 152.48 42.15 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.48 -1.012 . . . . 0.0 110.201 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.867 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -106.4 20.95 18.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.54 -0.725 . . . . 0.0 110.751 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 8.4 t 44.66 -156.15 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.44 -0.788 . . . . 0.0 111.733 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p -100.57 -21.54 15.26 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.619 -0.676 . . . . 0.0 110.005 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -94.07 -34.14 13.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.44 -0.787 . . . . 0.0 110.402 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.867 ' HB3' ' O ' ' A' ' 13' ' ' MET . . . -74.81 -29.71 61.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.412 -0.805 . . . . 0.0 109.804 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' A' ' 13' ' ' MET . 0.1 OUTLIER -71.47 -28.83 64.21 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.586 -0.696 . . . . 0.0 109.667 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -61.17 -49.34 77.59 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.604 -0.685 . . . . 0.0 110.257 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.5 t -61.98 -28.48 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.533 -0.729 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -78.22 -29.42 48.31 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.492 -0.755 . . . . 0.0 110.206 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 m -88.27 -28.63 20.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.613 -0.679 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -83.31 -27.95 29.42 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.543 -0.723 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -71.93 -39.97 69.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.541 -0.724 . . . . 0.0 110.187 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.11 -55.66 29.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.588 -0.695 . . . . 0.0 110.164 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.16 -25.61 67.85 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.574 -0.704 . . . . 0.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 51.7 t60 -70.91 -38.97 72.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.534 -0.729 . . . . 0.0 110.354 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -70.18 -13.85 62.37 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.661 -0.649 . . . . 0.0 111.157 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -87.98 -23.42 23.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.252 -0.905 . . . . 0.0 110.956 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 25.0 pttt -118.01 18.03 14.0 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.417 -0.802 . . . . 0.0 111.293 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 59.0 m-70 -144.53 79.99 12.12 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.354 -0.841 . . . . 0.0 110.275 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.26 -47.92 0.23 Allowed 'Trans proline' 0 C--N 1.317 -1.115 0 O-C-N 123.392 1.207 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.89 62.1 0.99 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.63 -0.669 . . . . 0.0 110.237 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -158.42 125.96 5.07 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.567 -0.708 . . . . 0.0 110.286 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -81.9 162.24 22.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.659 -0.651 . . . . 0.0 110.176 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.8 p -166.61 65.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.605 -0.684 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -59.59 -169.73 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.331 -0.855 . . . . 0.0 109.499 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -69.04 -41.9 77.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 0.0 110.815 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.508 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -70.08 -46.14 65.54 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.102 -0.999 . . . . 0.0 111.422 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -60.73 -17.15 46.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.311 -0.868 . . . . 0.0 110.341 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' HB2' HG22 ' A' ' 36' ' ' VAL . 14.0 t80 -111.61 -42.15 3.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.339 -0.85 . . . . 0.0 111.093 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.508 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 91.9 p -60.37 -18.52 50.8 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.478 -0.764 . . . . 0.0 110.289 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -89.21 -26.81 21.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.381 -0.824 . . . . 0.0 110.34 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -36.53 20.38 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.547 -0.721 . . . . 0.0 110.765 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -58.7 -27.51 64.93 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.36 -0.837 . . . . 0.0 110.414 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.2 p -67.5 -28.43 67.83 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.628 -0.67 . . . . 0.0 110.11 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.39 -28.11 61.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.565 -0.709 . . . . 0.0 110.188 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -94.52 -37.15 11.52 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.566 -0.709 . . . . 0.0 110.288 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -64.22 -47.37 79.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.614 -0.679 . . . . 0.0 110.252 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -64.55 -27.64 69.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.558 -0.714 . . . . 0.0 110.348 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.4 p -85.97 -27.87 24.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.504 -0.747 . . . . 0.0 110.312 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.9 mmm -60.79 137.7 58.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.507 -0.746 . . . . 0.0 110.284 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.9 m -88.61 163.56 15.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.59 -0.694 . . . . 0.0 110.146 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.55 -31.27 45.8 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.42 -0.8 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -74.38 -27.5 60.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.616 -0.677 . . . . 0.0 109.993 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.64 -36.09 16.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.566 -0.709 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.9 24.07 5.06 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.574 -0.703 . . . . 0.0 110.518 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.0 p -76.9 -29.49 55.76 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.493 -0.754 . . . . 0.0 109.971 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -67.92 -34.57 76.88 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.663 -0.648 . . . . 0.0 109.91 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -73.04 -42.69 62.88 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.697 -0.627 . . . . 0.0 109.893 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -69.84 -29.56 66.84 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.615 -0.678 . . . . 0.0 109.981 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.17 -29.41 38.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.594 -0.691 . . . . 0.0 110.092 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 33.7 mtp -76.5 -29.72 56.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.612 -0.68 . . . . 0.0 110.053 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -76.83 -38.65 53.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.695 -0.628 . . . . 0.0 110.042 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -67.14 -31.05 71.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.531 -0.731 . . . . 0.0 110.028 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -63.74 -45.99 87.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.54 -0.725 . . . . 0.0 110.031 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.63 -28.94 33.42 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.656 -0.652 . . . . 0.0 110.15 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -30.92 66.68 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.55 -0.719 . . . . 0.0 110.178 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.61 -29.22 20.14 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.525 -0.734 . . . . 0.0 110.094 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -76.07 -26.29 56.37 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.574 -0.704 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -59.23 -28.47 66.71 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.491 -0.756 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.2 -32.11 73.62 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.534 -0.729 . . . . 0.0 110.141 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -114.4 34.74 4.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.602 -0.686 . . . . 0.0 110.157 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -113.89 -33.27 5.82 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.601 -0.687 . . . . 0.0 110.194 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.3 mtt -100.01 -32.43 10.96 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.566 -0.709 . . . . 0.0 110.229 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -151.71 148.52 28.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.533 -0.729 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.177 -179.984 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 ttt . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.148 0.499 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.36 159.51 9.46 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -154.83 164.07 39.36 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.524 -0.986 . . . . 0.0 110.226 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.52 106.24 2.01 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.45 170.59 7.78 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.558 -0.966 . . . . 0.0 110.263 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.97 -42.86 0.89 Allowed 'Trans proline' 0 C--N 1.316 -1.172 0 O-C-N 123.469 1.247 . . . . 0.0 110.008 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.38 77.84 1.73 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.106 0.479 . . . . 0.0 110.213 -178.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -166.66 143.09 3.91 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.552 -0.718 . . . . 0.0 110.133 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.28 142.82 34.31 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 O-C-N 123.352 1.185 . . . . 0.0 110.458 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.45 30.36 6.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.527 -0.733 . . . . 0.0 110.154 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.47 155.58 11.72 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -77.43 -38.05 50.37 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.516 -0.991 . . . . 0.0 110.197 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt 53.02 97.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.44 -0.787 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.3 t -61.67 -170.81 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.563 -0.71 . . . . 0.0 110.101 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.8 p -81.42 -29.26 33.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.605 -0.684 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.01 -28.27 69.39 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.642 -0.661 . . . . 0.0 110.165 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.93 -28.91 55.43 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.568 -0.707 . . . . 0.0 110.169 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -79.88 -28.62 39.92 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.577 -0.702 . . . . 0.0 110.231 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -66.09 -47.66 73.51 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.563 -0.711 . . . . 0.0 110.178 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -69.98 -28.44 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.547 -0.721 . . . . 0.0 109.954 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -45.48 27.04 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.52 -0.738 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.7 m -74.37 -27.97 60.9 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.537 -0.727 . . . . 0.0 110.233 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 m -80.24 -26.01 39.28 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.549 -0.72 . . . . 0.0 110.416 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -39.76 63.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.489 -0.757 . . . . 0.0 110.061 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.82 -53.04 61.39 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.72 -0.613 . . . . 0.0 110.015 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.82 -31.54 71.78 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.597 -0.69 . . . . 0.0 109.878 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -64.5 -32.89 74.71 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.675 -0.641 . . . . 0.0 110.101 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -62.75 -61.01 2.71 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.606 -0.684 . . . . 0.0 110.553 -179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -61.45 -22.17 64.8 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.568 -0.708 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.667 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 5.0 tttt -92.63 -22.08 19.67 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.455 -0.778 . . . . 0.0 109.711 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.667 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 39.9 m80 -132.15 84.33 53.1 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.226 -0.921 . . . . 0.0 110.145 179.635 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.18 -43.3 0.75 Allowed 'Trans proline' 0 C--N 1.317 -1.094 0 O-C-N 123.471 1.248 . . . . 0.0 110.457 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -100.37 62.06 1.07 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.546 -0.721 . . . . 0.0 110.18 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.74 139.32 5.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.522 -0.736 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.2 p -88.55 175.01 7.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.617 -0.677 . . . . 0.0 110.129 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.6 p -167.63 68.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.539 -0.725 . . . . 0.0 110.226 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -58.94 -173.25 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.51 -0.744 . . . . 0.0 109.74 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -76.72 -41.27 45.81 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.79 -44.1 67.32 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.228 -0.92 . . . . 0.0 110.931 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.56 -16.7 57.52 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.619 -0.833 . . . . 0.0 110.13 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -111.83 -43.22 3.64 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.325 -0.859 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p -57.14 -21.98 36.68 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.465 -0.772 . . . . 0.0 110.076 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -86.89 -27.2 23.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.528 -0.733 . . . . 0.0 110.331 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -84.79 -39.26 18.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.512 -0.742 . . . . 0.0 110.798 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.2 p -58.53 -31.1 67.61 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.437 -0.79 . . . . 0.0 110.417 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.8 p -66.65 -31.76 72.65 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.668 -0.645 . . . . 0.0 110.033 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -65.85 -29.5 69.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.65 -0.656 . . . . 0.0 109.936 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 -100.73 -32.95 10.47 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.623 -0.673 . . . . 0.0 110.13 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -64.42 -33.15 75.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.499 -0.75 . . . . 0.0 110.063 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -78.25 -28.21 47.7 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.581 -0.699 . . . . 0.0 110.235 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.8 p -82.49 -29.8 30.29 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.544 -0.722 . . . . 0.0 110.209 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 72.6 mtp -61.72 159.46 13.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.551 -0.718 . . . . 0.0 110.157 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.8 p -117.74 -164.77 1.03 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.535 -0.728 . . . . 0.0 110.279 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.34 -20.47 63.86 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.624 -0.673 . . . . 0.0 110.631 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -69.89 -30.0 67.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.268 -0.895 . . . . 0.0 109.926 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -100.91 -39.74 7.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.609 -0.682 . . . . 0.0 110.011 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -67.81 -19.26 65.06 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.669 -0.645 . . . . 0.0 110.577 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 p -58.45 -32.06 68.37 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.303 -0.873 . . . . 0.0 110.477 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -72.62 -31.88 65.5 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.598 -0.689 . . . . 0.0 110.132 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -90.82 -28.75 17.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.569 -0.707 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -74.03 -29.09 61.75 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.543 -0.723 . . . . 0.0 110.116 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.24 -29.08 57.39 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.68 -0.637 . . . . 0.0 110.163 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.5 mmm -69.31 -35.03 75.55 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.605 -0.685 . . . . 0.0 110.076 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.74 -35.99 51.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.686 . . . . 0.0 110.061 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -67.79 -28.63 67.76 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -61.01 -47.05 88.25 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.577 -0.702 . . . . 0.0 110.056 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.95 -30.73 50.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.619 -0.676 . . . . 0.0 110.077 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -63.72 -29.32 70.56 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.542 -0.724 . . . . 0.0 110.157 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.53 -28.67 24.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.601 -0.687 . . . . 0.0 110.193 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -95.71 24.32 5.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.507 -0.746 . . . . 0.0 110.454 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -110.05 -29.32 8.28 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.446 -0.784 . . . . 0.0 110.206 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.88 -30.45 31.95 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.577 -0.702 . . . . 0.0 110.122 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -84.68 -35.55 22.5 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.589 -0.694 . . . . 0.0 110.17 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.46 -30.33 70.02 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.671 -0.643 . . . . 0.0 110.273 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 mmt -79.7 -28.64 40.63 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.585 -0.697 . . . . 0.0 110.259 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -79.97 127.02 31.77 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.596 -0.69 . . . . 0.0 110.187 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.195 -179.958 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.09 0.472 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.12 -122.74 3.6 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -110.04 -43.57 3.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.591 -0.946 . . . . 0.0 110.174 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.4 -127.85 1.33 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.432 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -173.33 -60.45 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.557 -0.966 . . . . 0.0 110.291 179.792 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.7 Cg_endo -74.02 -42.97 0.63 Allowed 'Trans proline' 0 N--CA 1.487 1.118 0 O-C-N 123.11 1.058 . . . . 0.0 109.704 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.57 -25.98 7.67 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.053 0.454 . . . . 0.0 110.411 -179.022 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt 53.2 65.14 6.12 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.238 -0.914 . . . . 0.0 110.729 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.82 -179.93 4.69 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 O-C-N 123.318 1.167 . . . . 0.0 110.246 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -103.15 -179.27 3.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.581 -0.699 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.0 -170.28 6.5 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HE3' ' CG ' ' A' ' 71' ' ' TYR . 18.0 mttp -106.71 -165.05 1.04 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.64 -0.918 . . . . 0.0 110.14 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.402 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 49.6 mtt -139.59 114.97 9.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.509 -0.744 . . . . 0.0 110.204 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.466 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 10.6 t -84.63 177.46 8.05 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.564 -0.71 . . . . 0.0 110.169 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.2 p -69.29 -28.94 66.73 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.604 -0.685 . . . . 0.0 110.187 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -66.32 -29.05 69.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.469 -0.77 . . . . 0.0 110.142 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.08 -29.86 39.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.585 -0.697 . . . . 0.0 110.126 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 18.7 m-85 -79.6 -29.0 41.0 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.619 -0.676 . . . . 0.0 110.097 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.11 -52.15 63.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.58 -0.7 . . . . 0.0 110.065 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.94 -29.42 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.599 -0.688 . . . . 0.0 109.862 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -69.75 -34.22 73.51 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.622 -0.674 . . . . 0.0 110.056 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -84.64 -29.61 25.58 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.637 -0.664 . . . . 0.0 110.09 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 m -79.61 -29.52 41.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.704 -0.622 . . . . 0.0 110.133 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -35.44 73.68 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.614 -0.679 . . . . 0.0 109.986 179.824 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -67.14 -33.62 75.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.633 -0.667 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -95.14 22.51 6.62 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.496 -0.753 . . . . 0.0 110.535 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -105.01 -48.75 3.65 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.404 -0.81 . . . . 0.0 110.066 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -59.24 -27.44 65.78 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.622 -0.673 . . . . 0.0 110.413 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -60.01 -27.25 66.73 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.539 -0.725 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 11.8 ptpt -132.4 19.59 4.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.474 -0.766 . . . . 0.0 110.969 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 69.6 m-70 -144.13 62.32 10.16 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.374 -0.829 . . . . 0.0 110.025 179.443 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.54 -40.78 1.95 Allowed 'Trans proline' 0 C--N 1.318 -1.065 0 O-C-N 123.328 1.173 . . . . 0.0 110.485 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -99.62 39.01 1.35 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.612 -0.68 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 t -114.24 140.27 48.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.592 -0.693 . . . . 0.0 110.166 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 t -98.55 88.4 4.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.535 -0.728 . . . . 0.0 110.243 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.74 92.34 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.561 -0.712 . . . . 0.0 110.244 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 39' ' ' ALA . 18.3 p30 -93.68 48.12 1.27 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.616 -0.677 . . . . 0.0 109.282 178.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 59.48 -77.28 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 O-C-N 122.194 -0.316 . . . . 0.0 111.219 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -45.42 -45.23 12.69 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.452 -0.78 . . . . 0.0 112.532 -178.862 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -58.25 -21.34 47.96 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.246 -0.909 . . . . 0.0 109.938 179.35 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -109.8 -33.75 6.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.583 -0.698 . . . . 0.0 109.985 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 p -61.1 -22.16 64.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.717 -0.614 . . . . 0.0 109.874 179.391 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -84.63 -24.75 28.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.501 -0.749 . . . . 0.0 110.375 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -84.79 -41.92 15.66 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.527 -0.733 . . . . 0.0 110.802 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.3 p -58.94 -28.03 65.88 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.395 -0.816 . . . . 0.0 110.467 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -71.55 -31.41 66.98 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.545 -0.722 . . . . 0.0 110.088 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -70.63 -34.81 72.49 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.549 -0.719 . . . . 0.0 109.95 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.64 -37.53 16.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.658 -0.651 . . . . 0.0 110.068 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -62.85 -49.31 75.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.618 -0.676 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -65.27 -26.15 67.96 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.595 -0.691 . . . . 0.0 110.549 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.7 p -90.04 -22.18 21.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.504 -0.748 . . . . 0.0 110.713 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.3 mmm -57.85 143.57 41.96 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.314 -0.866 . . . . 0.0 110.399 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.3 m -83.99 162.2 20.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.469 -0.769 . . . . 0.0 110.206 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.58 -29.8 64.75 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.496 -0.753 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -75.93 -29.05 58.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.532 -0.73 . . . . 0.0 109.982 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -86.51 -34.59 19.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.563 -0.71 . . . . 0.0 110.142 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 26.98 3.77 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.514 -0.741 . . . . 0.0 110.46 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 p -85.48 -30.97 23.05 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.546 -0.721 . . . . 0.0 110.161 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -69.1 -30.03 68.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.55 -0.719 . . . . 0.0 110.091 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -84.4 -34.61 23.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.517 -0.739 . . . . 0.0 110.124 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.02 -29.4 64.15 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.578 -0.701 . . . . 0.0 110.142 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -80.32 -28.66 38.15 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.55 -0.719 . . . . 0.0 110.241 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.5 mmm -74.08 -29.83 62.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.519 -0.738 . . . . 0.0 110.082 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -83.68 -29.06 27.9 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.525 -0.734 . . . . 0.0 110.137 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -28.61 64.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.548 -0.72 . . . . 0.0 110.205 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.1 t -73.19 -29.82 63.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.584 -0.697 . . . . 0.0 110.163 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -84.72 -31.21 24.18 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.628 -0.67 . . . . 0.0 110.155 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -29.23 70.62 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.615 -0.678 . . . . 0.0 110.224 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.95 -28.5 49.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.652 -0.655 . . . . 0.0 110.229 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -61.98 -29.01 69.96 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.519 -0.738 . . . . 0.0 110.139 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.437 ' CG ' ' HE3' ' A' ' 12' ' ' LYS . 30.9 t80 -88.49 -28.47 20.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.649 -0.657 . . . . 0.0 110.312 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -77.16 -29.28 54.43 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.568 -0.707 . . . . 0.0 110.145 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -83.21 -30.7 27.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.598 -0.689 . . . . 0.0 110.135 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -68.05 -49.04 63.8 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.571 -0.705 . . . . 0.0 110.224 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.6 mmt -94.42 -42.14 9.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.656 -0.653 . . . . 0.0 110.24 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.7 mttt 52.98 -175.02 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.443 -0.786 . . . . 0.0 110.735 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.176 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.083 0.468 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.61 143.04 8.37 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -98.6 35.53 1.81 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.576 -0.955 . . . . 0.0 110.207 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.99 -51.2 0.9 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.636 -1.385 . . . . 0.0 109.636 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -111.84 165.12 13.53 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.583 -0.951 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.45 -43.35 0.69 Allowed 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.419 1.22 . . . . 0.0 110.173 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.35 41.45 3.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.895 -0.503 . . . . 0.0 110.163 -178.876 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -156.33 163.93 23.22 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.59 -0.694 . . . . 0.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.57 -177.04 2.54 Favored 'Trans proline' 0 C--N 1.317 -1.087 0 O-C-N 123.419 1.221 . . . . 0.0 110.554 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -93.53 167.29 11.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.598 -0.688 . . . . 0.0 110.251 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.45 -151.98 1.09 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -112.78 -168.49 1.33 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.662 -0.904 . . . . 0.0 110.177 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -126.26 -169.31 1.99 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.61 -0.681 . . . . 0.0 110.164 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.7 t -154.82 167.3 30.72 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.602 -0.686 . . . . 0.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.4 p -72.55 -28.33 62.76 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.631 -0.668 . . . . 0.0 110.207 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -75.74 -29.13 58.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.578 -0.701 . . . . 0.0 110.166 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.62 59.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.587 -0.695 . . . . 0.0 110.163 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -78.12 -29.19 48.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.549 -0.719 . . . . 0.0 110.09 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -61.87 -47.73 83.7 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.543 -0.723 . . . . 0.0 110.059 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.9 t -72.84 -30.02 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.597 -0.689 . . . . 0.0 109.85 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -71.77 -29.0 64.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.531 -0.73 . . . . 0.0 110.197 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.8 m -94.55 -28.47 15.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.64 -0.662 . . . . 0.0 110.167 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.2 m -83.43 -35.19 25.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.501 -0.749 . . . . 0.0 110.2 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -70.99 -35.38 72.08 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.548 -0.72 . . . . 0.0 109.987 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.78 -37.75 79.92 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.476 -0.765 . . . . 0.0 109.812 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -94.62 19.77 9.43 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.636 -0.665 . . . . 0.0 110.206 179.26 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -105.1 -52.82 2.77 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.43 -0.794 . . . . 0.0 110.078 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -60.62 -32.49 71.63 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.533 -0.729 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -61.58 -25.42 67.32 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.596 -0.69 . . . . 0.0 110.426 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 2.3 ptmt -124.79 15.49 8.67 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.468 -0.77 . . . . 0.0 111.16 -179.729 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 50.5 m-70 -143.04 67.56 17.38 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.183 -0.948 . . . . 0.0 110.168 179.35 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.99 -35.98 4.83 Favored 'Trans proline' 0 C--N 1.318 -1.027 0 O-C-N 123.241 1.127 . . . . 0.0 110.406 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.99 -33.37 33.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.642 -0.662 . . . . 0.0 110.16 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -89.01 138.55 31.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.547 -0.72 . . . . 0.0 110.104 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 m -99.55 -169.55 1.77 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.605 -0.684 . . . . 0.0 110.324 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.7 p -163.65 71.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.633 -0.667 . . . . 0.0 109.927 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' ALA . 7.1 p-10 -76.4 60.63 1.59 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.494 -0.754 . . . . 0.0 110.888 -179.501 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 59.55 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.779 -0.575 . . . . 0.0 111.6 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -46.66 -49.16 19.65 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.177 -0.952 . . . . 0.0 112.245 -178.68 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -55.21 -23.41 22.01 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.28 -0.888 . . . . 0.0 109.6 178.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.454 ' HB2' HG23 ' A' ' 36' ' ' VAL . 2.8 t80 -101.59 -34.48 9.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.534 0.683 . . . . 0.0 109.83 179.247 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 p -57.79 -21.93 44.55 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.889 -0.507 . . . . 0.0 110.25 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -90.95 -24.82 20.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.641 -0.662 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -89.99 -46.91 8.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.436 -0.79 . . . . 0.0 110.989 -179.501 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -57.92 -27.63 63.53 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.379 -0.825 . . . . 0.0 110.597 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.0 p -70.19 -35.27 73.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.532 -0.73 . . . . 0.0 110.091 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.57 -33.36 75.42 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.537 -0.727 . . . . 0.0 110.101 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -86.49 -44.03 12.3 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.672 -0.642 . . . . 0.0 110.236 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -60.81 -34.62 74.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.555 -0.716 . . . . 0.0 110.13 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -78.21 -24.61 47.0 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.582 -0.699 . . . . 0.0 110.586 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.9 p -100.57 -13.61 18.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.409 -0.807 . . . . 0.0 111.165 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.79 153.59 13.52 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.261 -0.899 . . . . 0.0 110.462 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 p -92.58 176.65 6.38 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.552 -0.717 . . . . 0.0 110.276 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.51 -26.16 66.2 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.62 -0.675 . . . . 0.0 110.348 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -69.54 -29.67 67.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.45 -0.781 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -94.15 -52.0 4.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.602 -0.686 . . . . 0.0 110.081 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -56.06 -24.27 38.74 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.461 -0.774 . . . . 0.0 110.585 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.1 p -66.04 -28.04 68.55 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.501 -0.749 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -69.44 -28.58 66.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.628 -0.67 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -90.92 -28.12 18.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.579 -0.701 . . . . 0.0 110.311 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -69.75 -27.74 65.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.503 -0.748 . . . . 0.0 110.284 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -81.42 -30.43 33.54 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.531 -0.73 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.76 -31.16 66.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.502 -0.749 . . . . 0.0 110.104 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.13 -42.39 32.0 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.541 -0.724 . . . . 0.0 110.204 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -64.29 -28.82 69.98 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.584 -0.697 . . . . 0.0 110.227 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 t -65.39 -38.56 90.36 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.483 -0.76 . . . . 0.0 110.178 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -89.62 -28.5 19.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.532 -0.73 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -70.83 -28.57 64.71 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.567 -0.708 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.55 -23.96 29.49 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.516 -0.74 . . . . 0.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -58.26 -35.23 71.44 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.367 -0.833 . . . . 0.0 110.523 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -68.01 -26.58 65.96 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.548 -0.72 . . . . 0.0 110.367 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.39 -22.93 62.12 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.446 -0.784 . . . . 0.0 110.703 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -118.66 -16.66 9.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.447 -0.783 . . . . 0.0 111.279 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -58.08 -58.37 8.74 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.237 -0.915 . . . . 0.0 110.953 -179.21 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 44.1 mmm -128.45 57.38 1.59 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.447 -0.783 . . . . 0.0 110.432 -179.601 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -145.8 99.12 3.22 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.532 -0.73 . . . . 0.0 110.223 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.173 179.986 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.052 0.453 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.97 -106.6 0.23 Allowed Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -150.72 158.71 44.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.57 -0.959 . . . . 0.0 110.226 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.1 -162.61 36.9 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -149.32 61.23 5.15 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.586 -0.949 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -73.15 -43.04 0.79 Allowed 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.313 1.165 . . . . 0.0 110.043 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.7 -46.76 0.74 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.888 -0.507 . . . . 0.0 110.168 -178.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -91.75 161.23 34.45 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.599 -0.688 . . . . 0.0 110.271 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.66 178.14 6.66 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.4 1.21 . . . . 0.0 110.397 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.1 ttt-85 -97.7 168.25 10.45 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.608 -0.682 . . . . 0.0 110.226 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.07 -175.22 28.77 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.34 -167.12 1.51 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.657 -0.908 . . . . 0.0 110.224 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -129.94 -167.81 1.86 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.558 -0.714 . . . . 0.0 110.165 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.568 ' H ' ' HB3' ' A' ' 17' ' ' ALA . 6.5 t -149.97 178.11 9.23 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.521 -0.737 . . . . 0.0 110.215 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.9 p -62.35 -29.25 70.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.551 -0.718 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -81.59 -28.57 33.72 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.519 -0.738 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.568 ' HB3' ' H ' ' A' ' 14' ' ' SER . . . -79.82 -30.99 40.63 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.487 -0.758 . . . . 0.0 110.196 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.82 -29.82 61.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.56 -0.712 . . . . 0.0 110.121 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.45 -46.46 76.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.595 -0.691 . . . . 0.0 110.102 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -67.92 -30.65 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.628 -0.67 . . . . 0.0 109.846 179.745 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -65.37 -30.2 71.01 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.609 -0.682 . . . . 0.0 110.01 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -84.45 -29.17 26.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.609 -0.682 . . . . 0.0 110.14 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.5 m -84.66 -28.82 26.16 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.611 -0.681 . . . . 0.0 110.213 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -36.26 69.7 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.627 -0.671 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -69.12 -50.56 46.91 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.666 -0.646 . . . . 0.0 110.0 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -60.81 -25.94 66.95 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.585 -0.697 . . . . 0.0 110.196 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -63.21 -27.86 69.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.498 -0.751 . . . . 0.0 110.242 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -81.27 59.11 3.82 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.548 -0.72 . . . . 0.0 110.217 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -157.3 -44.18 0.07 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.611 -0.68 . . . . 0.0 109.846 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -118.81 27.74 8.71 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.702 -0.624 . . . . 0.0 110.392 179.651 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 87.0 m-70 -147.13 68.52 11.39 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.608 -0.682 . . . . 0.0 110.074 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.78 -48.74 0.28 Allowed 'Trans proline' 0 C--N 1.317 -1.126 0 O-C-N 123.297 1.156 . . . . 0.0 110.413 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -91.86 52.98 2.1 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.631 -0.668 . . . . 0.0 110.203 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.2 m -148.85 120.05 7.78 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.552 -0.718 . . . . 0.0 110.223 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -95.38 95.63 8.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.598 -0.689 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.428 ' CG2' ' CD1' ' A' ' 41' ' ' PHE . 12.7 p -85.82 146.72 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.578 -0.701 . . . . 0.0 110.345 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' HB3' ' HG2' ' A' ' 40' ' ' GLU . 6.7 t30 -123.18 -153.33 0.55 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.8 -52.5 3.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.36 -0.838 . . . . 0.0 110.031 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 42' ' ' SER . . . -71.74 -57.94 3.91 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.741 -0.6 . . . . 0.0 111.27 -179.138 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HG2' ' HB3' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -54.49 -23.39 16.1 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.207 -0.933 . . . . 0.0 109.518 179.134 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CD1' ' CG2' ' A' ' 36' ' ' VAL . 56.8 t80 -96.17 -19.91 19.0 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 121.64 -0.663 . . . . 0.0 110.386 178.496 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -65.26 -32.5 74.19 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.307 -0.87 . . . . 0.0 109.432 179.472 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -68.01 -20.31 65.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.853 -0.53 . . . . 0.0 110.716 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -84.39 -53.79 5.21 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.335 -0.853 . . . . 0.0 110.587 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -60.07 -29.04 68.29 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.545 -0.722 . . . . 0.0 110.438 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.9 p -63.11 -32.56 73.97 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.536 -0.727 . . . . 0.0 110.159 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.69 -30.37 70.6 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.546 -0.721 . . . . 0.0 110.086 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -92.68 -29.03 16.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.645 -0.66 . . . . 0.0 110.188 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -72.5 -52.34 16.16 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.52 -0.737 . . . . 0.0 110.089 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -63.03 -27.38 69.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.695 -0.628 . . . . 0.0 110.403 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.4 p -82.2 -29.45 31.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.528 -0.732 . . . . 0.0 110.268 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.5 mtp -61.6 165.32 5.09 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.541 -0.724 . . . . 0.0 110.171 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -108.16 -174.41 2.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.569 -0.707 . . . . 0.0 110.32 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.8 -21.91 62.42 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.63 -0.668 . . . . 0.0 110.586 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -68.62 -30.39 69.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.385 -0.822 . . . . 0.0 109.883 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -98.84 -41.14 7.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.655 -0.653 . . . . 0.0 109.949 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -65.01 -21.58 66.87 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.63 -0.669 . . . . 0.0 110.512 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 p -67.42 -31.23 71.29 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.424 -0.797 . . . . 0.0 110.336 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -66.15 -28.94 69.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.567 -0.708 . . . . 0.0 110.173 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -91.44 -28.47 17.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.588 -0.695 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -79.26 -28.51 42.37 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.591 -0.693 . . . . 0.0 110.248 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.16 -28.68 42.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.595 -0.69 . . . . 0.0 110.254 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.9 mmt -82.81 -28.84 29.96 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.551 -0.718 . . . . 0.0 110.126 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.88 -45.82 40.35 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.562 -0.711 . . . . 0.0 110.168 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -69.21 -28.32 66.26 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.629 -0.669 . . . . 0.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -28.82 69.39 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.551 -0.718 . . . . 0.0 110.172 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -102.83 -29.9 11.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.565 -0.709 . . . . 0.0 110.172 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -68.1 -30.56 69.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.636 -0.665 . . . . 0.0 110.227 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.66 -28.76 63.96 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.565 -0.709 . . . . 0.0 110.178 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -65.92 -28.95 69.3 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.621 -0.675 . . . . 0.0 110.152 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -65.13 -28.95 69.78 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.474 -0.766 . . . . 0.0 110.141 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.69 -30.67 67.31 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.645 -0.66 . . . . 0.0 110.17 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -102.58 33.54 3.13 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.632 -0.667 . . . . 0.0 110.177 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -105.17 -51.66 2.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.565 -0.709 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 43.2 mtt -99.95 34.83 2.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.591 -0.693 . . . . 0.0 110.233 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -135.21 33.59 3.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.519 -0.738 . . . . 0.0 110.219 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.8 t30 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.18 -179.959 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ttt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.153 0.502 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.68 61.21 0.33 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -88.83 -30.33 19.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.54 -0.977 . . . . 0.0 110.231 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.13 40.95 2.29 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -136.57 145.96 53.59 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.576 -0.955 . . . . 0.0 110.238 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.82 -167.95 0.46 Allowed 'Trans proline' 0 N--CA 1.489 1.228 0 O-C-N 123.375 1.197 . . . . 0.0 109.451 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.56 119.07 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.98 0.895 . . . . 0.0 112.094 176.388 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 mttt 58.22 164.57 0.08 OUTLIER Pre-proline 0 N--CA 1.501 2.109 0 O-C-N 121.242 -0.911 . . . . 0.0 110.697 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.88 -165.34 0.25 Allowed 'Trans proline' 0 C--N 1.319 -1.01 0 O-C-N 123.462 1.243 . . . . 0.0 110.531 -179.758 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.72 33.82 1.79 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.67 -0.643 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.69 -178.91 23.39 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -92.04 -166.53 1.57 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.629 -0.924 . . . . 0.0 110.156 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.9 mtt -132.27 -170.94 2.52 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.661 -0.65 . . . . 0.0 110.235 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.526 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.8 t -153.56 178.7 9.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.555 -0.715 . . . . 0.0 110.214 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.6 p -68.65 -28.7 67.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.58 -0.7 . . . . 0.0 110.19 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -77.49 -28.71 52.28 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.599 -0.688 . . . . 0.0 110.132 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.07 -31.9 50.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.532 -0.73 . . . . 0.0 110.188 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.69 -28.96 33.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.607 -0.683 . . . . 0.0 110.147 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.69 -41.9 95.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.658 -0.652 . . . . 0.0 110.169 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.15 -29.8 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.633 -0.667 . . . . 0.0 109.919 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.36 -46.11 28.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.706 . . . . 0.0 110.179 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.8 m -66.3 -27.75 68.16 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.535 -0.728 . . . . 0.0 110.253 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -86.05 -28.33 24.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.529 -0.732 . . . . 0.0 110.382 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -39.11 63.72 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.604 -0.685 . . . . 0.0 110.115 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.16 -41.08 97.96 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.536 -0.727 . . . . 0.0 109.926 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.32 -17.56 56.4 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.628 -0.67 . . . . 0.0 110.709 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -64.62 -47.8 77.26 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.343 -0.848 . . . . 0.0 110.292 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -60.24 -27.78 67.5 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.748 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -64.29 -27.25 68.91 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.509 -0.745 . . . . 0.0 110.404 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.596 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -125.26 17.46 8.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.531 -0.731 . . . . 0.0 110.964 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 38.0 m80 -145.79 66.47 11.85 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.314 -0.866 . . . . 0.0 110.005 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.83 -31.13 10.6 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 O-C-N 123.261 1.137 . . . . 0.0 110.498 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -104.77 53.08 0.73 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.53 -0.732 . . . . 0.0 110.337 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 t -168.39 134.94 1.95 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.508 -0.745 . . . . 0.0 110.389 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.8 t -89.43 179.97 5.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.605 -0.684 . . . . 0.0 109.932 179.737 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.633 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.9 p -168.13 89.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.466 -0.771 . . . . 0.0 110.712 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -70.95 -168.2 0.26 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.348 -0.845 . . . . 0.0 109.459 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -80.79 -48.3 12.67 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.361 -0.837 . . . . 0.0 110.202 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.49 -40.42 73.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.267 -0.895 . . . . 0.0 110.618 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -63.26 -16.35 59.99 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.066 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -114.41 -46.13 2.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.313 -0.867 . . . . 0.0 110.752 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.0 p -55.05 -24.13 23.48 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.518 -0.739 . . . . 0.0 110.138 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -30.48 64.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.584 -0.697 . . . . 0.0 109.563 179.205 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.22 -39.08 16.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.636 -0.665 . . . . 0.0 110.165 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.9 m -61.59 -29.1 69.82 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.489 -0.757 . . . . 0.0 110.015 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.3 p -66.18 -31.84 72.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.535 -0.728 . . . . 0.0 110.022 179.663 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -67.29 -29.3 68.86 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.637 -0.664 . . . . 0.0 110.0 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' HG22 ' A' ' 51' ' ' THR . 36.8 ttt180 -91.07 -42.61 10.4 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.567 -0.708 . . . . 0.0 109.997 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.428 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 75.8 t-105 -64.51 -28.49 69.69 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.562 -0.711 . . . . 0.0 110.113 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -75.09 -24.23 58.1 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.552 -0.718 . . . . 0.0 110.544 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 48' ' ' ARG . 8.7 t -102.29 -21.43 14.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.495 -0.753 . . . . 0.0 110.81 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 58.2 mtp -56.66 146.63 24.92 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.8 p -93.69 -177.11 4.27 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.608 -0.683 . . . . 0.0 110.417 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.48 -22.85 62.62 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.663 -0.648 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -67.31 -30.57 70.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.355 -0.841 . . . . 0.0 109.773 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -98.34 -43.07 7.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.744 -0.598 . . . . 0.0 109.905 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 30.8 mtpt -65.88 -21.8 66.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.599 -0.688 . . . . 0.0 110.343 179.696 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 p -63.1 -31.62 72.81 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.392 -0.817 . . . . 0.0 110.306 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -64.26 -29.62 70.71 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.572 -0.705 . . . . 0.0 110.189 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -91.14 -28.67 17.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.524 -0.735 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.79 -28.68 62.73 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.526 -0.734 . . . . 0.0 110.236 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.03 -28.72 57.82 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.582 -0.698 . . . . 0.0 110.149 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.8 mtt -80.74 -28.72 36.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.509 -0.745 . . . . 0.0 110.156 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.75 -32.13 46.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.557 -0.715 . . . . 0.0 110.142 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -75.19 -29.07 60.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 0.0 110.157 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.6 t -70.74 -30.12 66.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.616 -0.677 . . . . 0.0 110.019 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -84.16 -29.43 26.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.599 -0.688 . . . . 0.0 110.103 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -70.64 -32.46 69.78 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.604 -0.685 . . . . 0.0 110.096 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.68 -31.43 24.13 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.562 -0.711 . . . . 0.0 110.135 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -65.86 -23.13 66.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.6 -0.688 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -57.4 -27.54 62.45 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.473 -0.767 . . . . 0.0 110.53 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.19 -31.49 70.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.558 -0.714 . . . . 0.0 110.112 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -110.41 31.21 6.11 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.677 -0.639 . . . . 0.0 110.149 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.26 -33.22 8.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.613 -0.679 . . . . 0.0 110.227 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 71.4 mtp -91.37 -31.42 16.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.603 -0.685 . . . . 0.0 110.219 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -89.09 153.62 20.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.489 -0.757 . . . . 0.0 110.183 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 t30 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.177 179.985 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtm . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.075 0.464 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.27 102.93 0.24 Allowed Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -142.12 -55.04 0.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.654 -0.909 . . . . 0.0 110.116 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.98 154.99 51.5 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.434 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.2 -60.17 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.581 -0.952 . . . . 0.0 110.331 179.829 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.2 Cg_endo -73.22 -42.85 0.83 Allowed 'Trans proline' 0 N--CA 1.487 1.114 0 O-C-N 123.137 1.072 . . . . 0.0 110.082 -179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.93 -43.98 1.65 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.817 -0.552 . . . . 0.0 110.349 -178.865 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -84.35 151.68 59.82 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.517 -0.739 . . . . 0.0 110.34 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -73.13 164.7 34.71 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 O-C-N 123.486 1.256 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -109.0 29.95 7.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.602 -0.686 . . . . 0.0 110.355 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.72 -167.34 48.17 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -107.03 -178.36 3.63 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.52 -0.988 . . . . 0.0 110.24 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.439 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -147.28 113.43 5.85 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.588 -0.695 . . . . 0.0 110.34 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.507 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 7.1 t -72.0 178.56 3.69 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.479 -0.763 . . . . 0.0 110.17 -179.871 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.6 p -63.53 -31.4 72.55 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.666 -0.646 . . . . 0.0 110.179 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -64.6 -28.99 70.0 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.574 -0.704 . . . . 0.0 110.201 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.52 -29.69 59.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.601 -0.687 . . . . 0.0 110.065 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 13' ' ' MET . 11.1 m-85 -79.58 -28.79 41.1 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.579 -0.701 . . . . 0.0 110.218 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -64.09 -47.26 80.73 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.558 -0.714 . . . . 0.0 110.172 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.33 -28.87 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.581 -0.699 . . . . 0.0 110.097 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -77.01 -34.9 57.37 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.513 -0.742 . . . . 0.0 110.235 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.0 m -83.8 -29.15 27.6 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.559 -0.713 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.3 m -83.22 -30.25 27.87 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.586 -0.696 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -62.74 -43.79 97.89 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.546 -0.721 . . . . 0.0 110.06 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -65.57 -32.0 73.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.551 -0.718 . . . . 0.0 109.998 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -95.99 25.06 5.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.613 -0.679 . . . . 0.0 110.31 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -105.13 -45.68 4.45 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.455 -0.778 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.31 -27.01 66.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.591 -0.693 . . . . 0.0 110.404 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -60.92 -26.39 67.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.589 -0.695 . . . . 0.0 110.515 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.587 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 1.3 ptmt -132.8 20.95 4.19 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.472 -0.767 . . . . 0.0 110.983 -179.848 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.587 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 38.4 m80 -145.05 63.69 10.32 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.335 -0.853 . . . . 0.0 110.138 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.04 -37.43 3.51 Favored 'Trans proline' 0 C--N 1.318 -1.063 0 O-C-N 123.353 1.186 . . . . 0.0 110.311 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -83.73 -31.08 26.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.642 -0.662 . . . . 0.0 110.16 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.8 t -90.54 132.37 35.74 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.65 -0.656 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p -95.76 -167.48 1.61 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.585 -0.697 . . . . 0.0 110.167 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.1 p -166.46 103.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.627 -0.67 . . . . 0.0 110.082 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -105.79 51.56 0.75 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.303 -0.873 . . . . 0.0 110.573 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 65.44 -62.78 0.22 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.866 -0.521 . . . . 0.0 111.287 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.13 90.83 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.043 -1.035 . . . . 0.0 111.049 -178.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.67 -18.38 41.67 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.412 -0.805 . . . . 0.0 110.017 179.158 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.612 ' HB2' HG23 ' A' ' 36' ' ' VAL . 2.1 t80 -107.2 -46.0 3.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.464 -0.773 . . . . 0.0 110.745 -179.775 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.2 p -55.22 -25.4 32.91 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.703 -0.623 . . . . 0.0 110.386 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -83.6 -28.42 28.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.568 -0.708 . . . . 0.0 109.961 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.94 -45.22 8.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.556 -0.715 . . . . 0.0 110.4 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.6 m -59.61 -25.69 64.85 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.637 -0.665 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.8 p -69.4 -37.59 77.55 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.495 -0.753 . . . . 0.0 109.724 179.421 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.6 -42.03 95.84 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.638 -0.663 . . . . 0.0 109.685 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -78.42 -39.29 39.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.679 -0.638 . . . . 0.0 109.769 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.429 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 72.5 t-105 -62.09 -51.3 68.5 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.575 -0.703 . . . . 0.0 109.63 179.607 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -61.95 -25.43 67.59 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.588 -0.695 . . . . 0.0 110.418 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -97.66 -12.52 22.31 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.471 -0.768 . . . . 0.0 110.991 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 mmm -56.92 170.86 0.39 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.229 -0.92 . . . . 0.0 110.558 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -102.98 166.08 10.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.575 -0.703 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.98 -18.5 65.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.671 -0.643 . . . . 0.0 110.783 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -73.25 -29.9 63.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.33 -0.856 . . . . 0.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -98.97 -37.14 9.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.667 -0.646 . . . . 0.0 110.102 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 27.1 mtmt -71.58 -21.91 61.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.628 -0.67 . . . . 0.0 110.457 179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.9 p -69.84 -29.3 66.52 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.429 -0.794 . . . . 0.0 110.388 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -66.45 -28.65 68.76 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.568 -0.708 . . . . 0.0 110.245 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -93.76 -28.51 15.88 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.541 -0.725 . . . . 0.0 110.341 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -71.7 -27.96 63.38 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.498 -0.751 . . . . 0.0 110.337 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.5 -27.57 46.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.54 -0.725 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 50.3 mtt -82.19 -27.68 32.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.572 -0.705 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -79.93 -28.16 39.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.563 -0.71 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -72.78 -28.05 62.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.412 -0.805 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -61.62 -54.54 41.59 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.516 -0.74 . . . . 0.0 110.247 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.85 -31.89 72.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.62 -0.675 . . . . 0.0 110.356 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -64.91 -28.11 69.31 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.563 -0.711 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.95 -28.41 14.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.62 -0.675 . . . . 0.0 110.351 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -79.32 -27.45 42.1 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.608 -0.682 . . . . 0.0 110.345 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.75 -28.63 68.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.53 -0.731 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.69 -37.11 84.06 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.615 -0.678 . . . . 0.0 110.153 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -110.36 39.12 2.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.517 -0.74 . . . . 0.0 110.198 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -98.67 -52.77 3.5 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.567 -0.708 . . . . 0.0 110.25 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 9.7 ptm -144.0 40.12 1.37 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.549 -0.72 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -110.95 128.98 56.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.511 -0.743 . . . . 0.0 110.263 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.1 t30 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.167 -179.905 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 ttp . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.073 0.463 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.79 112.75 0.21 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 30.0 0.76 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.556 -0.967 . . . . 0.0 110.288 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.05 172.64 20.87 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -150.18 54.34 1.49 Allowed Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.537 -0.978 . . . . 0.0 110.231 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -72.93 -42.89 0.9 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.35 1.184 . . . . 0.0 110.072 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.55 -49.78 0.45 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.852 -0.53 . . . . 0.0 110.108 -179.002 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 162.27 50.32 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 121.638 -0.664 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.46 165.09 33.68 Favored 'Trans proline' 0 C--N 1.317 -1.115 0 O-C-N 123.472 1.248 . . . . 0.0 110.443 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -79.78 154.38 28.53 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.565 -0.709 . . . . 0.0 110.191 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.11 168.39 29.54 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -108.25 -168.68 1.39 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.62 -0.929 . . . . 0.0 110.152 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 mmt -103.83 -166.34 1.25 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.547 -0.721 . . . . 0.0 110.086 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.529 ' H ' ' HB3' ' A' ' 17' ' ' ALA . 3.4 t -157.45 179.24 9.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.583 -0.698 . . . . 0.0 110.124 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.6 p -58.76 -27.59 65.11 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.586 -0.696 . . . . 0.0 110.482 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -79.25 -28.94 42.41 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.641 -0.662 . . . . 0.0 110.216 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.529 ' HB3' ' H ' ' A' ' 14' ' ' SER . . . -80.08 -36.8 34.99 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.587 -0.695 . . . . 0.0 110.276 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -70.27 -29.25 65.98 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.502 -0.749 . . . . 0.0 110.071 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -62.87 -45.5 92.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.576 -0.702 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -76.99 -34.04 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.527 -0.733 . . . . 0.0 109.918 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.99 -37.44 81.48 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.59 -0.694 . . . . 0.0 110.117 179.845 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.1 m -81.34 -28.72 34.39 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.604 -0.685 . . . . 0.0 110.145 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.7 m -79.57 -25.43 41.6 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.582 -0.699 . . . . 0.0 110.375 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -75.6 -46.94 28.85 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.549 -0.72 . . . . 0.0 109.977 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -59.47 -26.91 65.64 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.545 -0.722 . . . . 0.0 110.43 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -87.96 -24.75 23.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.588 -0.695 . . . . 0.0 110.342 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -66.73 -46.75 74.46 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.419 -0.801 . . . . 0.0 110.191 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -61.31 -30.08 70.27 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.59 -0.694 . . . . 0.0 110.496 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -60.8 -27.09 67.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.574 -0.704 . . . . 0.0 110.41 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.595 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -125.98 17.87 7.87 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.478 -0.764 . . . . 0.0 111.02 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.595 ' CE1' ' HG3' ' A' ' 30' ' ' LYS . 38.0 m80 -145.22 74.51 14.17 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.311 -0.868 . . . . 0.0 110.109 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.9 -38.67 2.8 Favored 'Trans proline' 0 C--N 1.316 -1.154 0 O-C-N 123.321 1.169 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.66 48.75 0.9 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.564 -0.71 . . . . 0.0 110.224 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.67 106.84 0.98 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.512 -0.743 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.707 ' O ' HG13 ' A' ' 36' ' ' VAL . 58.2 m -74.22 -168.52 0.65 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.579 -0.701 . . . . 0.0 110.191 179.843 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -168.11 91.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.634 -0.666 . . . . 0.0 110.798 -179.433 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -63.64 144.69 56.81 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.18 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -53.73 -36.27 62.11 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.108 -0.995 . . . . 0.0 110.658 -178.672 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.26 -44.05 48.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.237 -0.914 . . . . 0.0 109.944 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.4 -16.51 60.72 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.709 178.687 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -109.64 -48.88 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.345 -0.847 . . . . 0.0 111.303 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.3 p -53.65 -25.91 20.01 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.205 -0.934 . . . . 0.0 110.374 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -33.34 64.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.61 -0.681 . . . . 0.0 109.459 179.19 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -82.32 -34.62 28.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.724 -0.61 . . . . 0.0 109.889 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.2 m -61.94 -29.65 70.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.688 -0.632 . . . . 0.0 109.938 179.701 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.5 p -61.53 -35.26 77.25 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.603 -0.686 . . . . 0.0 109.945 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -63.76 -31.37 72.52 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.629 -0.669 . . . . 0.0 109.732 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' HA ' ' HG1' ' A' ' 51' ' ' THR . 1.1 ttt-85 -92.08 -33.96 14.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.668 -0.645 . . . . 0.0 109.983 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.431 ' CH2' ' HG2' ' A' ' 57' ' ' LYS . 72.6 t-105 -68.61 -36.93 79.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.678 -0.639 . . . . 0.0 109.976 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -27.77 54.39 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.698 -0.626 . . . . 0.0 110.276 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.413 ' HG1' ' HA ' ' A' ' 48' ' ' ARG . 43.0 p -87.09 -26.32 23.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.576 -0.703 . . . . 0.0 110.449 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.3 mtp -59.46 158.78 9.05 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.505 -0.747 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.8 m -101.86 -172.62 2.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.495 -0.753 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.77 -11.72 60.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.524 -0.735 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -73.21 -30.33 63.44 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.179 -0.95 . . . . 0.0 109.882 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -101.64 -39.9 7.25 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.678 -0.639 . . . . 0.0 109.963 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 11.5 mtpp -66.25 -25.73 67.02 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.671 -0.643 . . . . 0.0 110.266 179.827 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.6 p -62.81 -40.59 97.84 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.427 -0.796 . . . . 0.0 110.347 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -62.3 -37.77 86.82 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.576 -0.702 . . . . 0.0 110.266 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -74.61 -31.33 61.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.513 -0.742 . . . . 0.0 110.132 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -82.93 -28.53 29.82 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.567 -0.708 . . . . 0.0 110.184 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.87 -28.3 64.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.504 -0.747 . . . . 0.0 110.207 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.8 mtp -83.92 -28.58 27.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.563 -0.711 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.92 -38.77 64.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.512 -0.743 . . . . 0.0 110.215 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -66.66 -28.67 68.65 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.512 -0.742 . . . . 0.0 110.172 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.6 t -63.9 -38.33 90.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.632 -0.667 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -92.02 -28.42 17.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.594 -0.691 . . . . 0.0 110.303 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -68.32 -28.32 67.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.55 -0.719 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.27 64.79 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.538 -0.726 . . . . 0.0 110.202 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -62.03 -28.38 69.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.47 -0.769 . . . . 0.0 110.249 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -64.36 -29.77 70.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.577 -0.702 . . . . 0.0 110.252 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.45 -36.54 83.05 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.619 -0.676 . . . . 0.0 110.224 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -103.93 39.66 1.59 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.542 -0.724 . . . . 0.0 110.201 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -113.77 -50.68 2.82 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.588 -0.695 . . . . 0.0 110.248 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 37.4 mtt -87.32 -55.46 3.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.572 -0.705 . . . . 0.0 110.179 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt 52.47 -170.42 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.388 -0.82 . . . . 0.0 110.8 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.0 t30 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.238 179.948 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 mmm . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.098 0.475 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.25 -141.86 6.97 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -158.61 94.66 1.27 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.61 -0.935 . . . . 0.0 110.156 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.51 42.51 2.04 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -157.06 168.66 12.04 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.938 . . . . 0.0 110.267 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -74.39 -43.58 0.49 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 O-C-N 123.38 1.2 . . . . 0.0 110.365 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.1 42.25 1.11 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.799 -0.563 . . . . 0.0 110.668 -178.567 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -139.13 157.96 70.25 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.467 -0.77 . . . . 0.0 110.191 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.6 162.75 40.47 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 O-C-N 123.432 1.227 . . . . 0.0 110.471 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.3 115.58 30.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.577 -0.702 . . . . 0.0 110.247 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.09 46.75 0.03 OUTLIER Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -122.95 -177.93 3.81 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.538 -0.977 . . . . 0.0 110.215 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.99 -168.76 1.97 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.613 -0.679 . . . . 0.0 110.12 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.452 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.9 t -156.54 -179.01 7.77 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.582 -0.699 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -76.71 -28.72 55.95 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.583 -0.698 . . . . 0.0 110.115 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -77.07 -28.78 54.76 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.633 -0.667 . . . . 0.0 110.138 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.38 -30.52 42.56 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.615 -0.678 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -73.84 -29.54 62.18 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.601 -0.687 . . . . 0.0 109.972 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.457 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 27.3 t80 -61.93 -55.2 32.04 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.662 -0.648 . . . . 0.0 110.082 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.73 -29.69 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.545 -0.722 . . . . 0.0 109.677 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.63 -50.86 61.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.59 -0.693 . . . . 0.0 109.746 179.644 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 56.6 m -69.82 -33.25 72.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.576 -0.703 . . . . 0.0 109.764 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 70.5 m -75.55 -29.55 59.42 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.665 -0.647 . . . . 0.0 109.749 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -66.88 -46.55 74.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.603 -0.686 . . . . 0.0 109.805 179.542 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -60.97 -32.02 71.59 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.557 -0.714 . . . . 0.0 109.472 179.297 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -72.02 -13.54 61.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.736 -0.602 . . . . 0.0 110.255 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.447 ' HA ' ' ND1' ' A' ' 31' ' ' HIS . 72.6 t60 -95.01 26.19 3.78 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.369 -0.832 . . . . 0.0 109.974 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -112.33 29.15 8.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.149 -0.97 . . . . 0.0 110.293 179.381 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -122.03 -82.21 0.65 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.438 -0.789 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -93.26 49.56 1.42 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.146 -0.971 . . . . 0.0 109.759 179.599 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.48 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 32.5 m80 -142.11 53.32 3.03 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.62 -0.675 . . . . 0.0 109.861 -179.419 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.6 Cg_endo -73.23 -49.03 0.24 Allowed 'Trans proline' 0 C--N 1.318 -1.035 0 O-C-N 123.268 1.141 . . . . 0.0 110.51 -179.674 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -97.16 36.24 1.47 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.616 -0.677 . . . . 0.0 110.202 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.9 m -141.86 86.09 1.97 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.585 -0.697 . . . . 0.0 110.218 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' HG13 ' A' ' 36' ' ' VAL . 20.7 m -71.93 171.85 11.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.59 -0.694 . . . . 0.0 110.131 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 36' ' ' VAL . 34.8 m -146.21 105.79 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.561 -179.357 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -92.08 50.12 1.62 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.442 -0.786 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 67.33 -57.83 0.43 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.687 -0.633 . . . . 0.0 110.712 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.57 85.35 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.834 -1.166 . . . . 0.0 110.775 -179.773 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -59.97 -18.01 42.45 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.477 -0.764 . . . . 0.0 110.403 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 23' ' ' SER . 14.0 t80 -112.09 -47.44 3.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.376 -0.828 . . . . 0.0 110.772 -179.682 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -54.47 -25.59 26.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.61 -0.681 . . . . 0.0 110.312 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -69.06 -29.8 68.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.633 -0.667 . . . . 0.0 109.617 179.3 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.65 -44.67 9.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.718 -0.614 . . . . 0.0 110.141 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.6 m -61.55 -29.16 69.83 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.61 -0.681 . . . . 0.0 110.033 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.5 p -66.44 -33.94 76.82 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.498 -0.751 . . . . 0.0 109.919 179.582 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -66.71 -34.4 77.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.685 -0.634 . . . . 0.0 109.849 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -89.06 -36.96 15.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.581 -0.7 . . . . 0.0 110.009 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.457 ' CE3' ' CD1' ' A' ' 19' ' ' PHE . 63.0 t-105 -63.04 -47.3 83.6 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.594 -0.691 . . . . 0.0 109.957 179.76 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -65.7 -28.33 68.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.572 -0.705 . . . . 0.0 110.214 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -95.9 -8.79 33.03 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.489 -0.757 . . . . 0.0 111.077 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.499 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 2.5 mmm -58.33 163.74 2.86 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.101 -0.999 . . . . 0.0 110.411 -179.915 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -93.81 168.09 11.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.624 -0.673 . . . . 0.0 110.32 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -23.68 65.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.577 -0.702 . . . . 0.0 110.444 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -69.21 -30.94 69.22 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.452 -0.78 . . . . 0.0 109.91 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 25.0 mt-10 -95.05 -40.41 9.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.773 -0.579 . . . . 0.0 109.976 179.828 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -67.25 -21.23 65.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.69 -0.632 . . . . 0.0 110.438 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 p -78.1 -30.15 49.36 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.357 -0.84 . . . . 0.0 110.369 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -65.08 -28.96 69.82 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.599 -0.688 . . . . 0.0 110.258 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -86.22 -28.88 23.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.653 -0.654 . . . . 0.0 110.188 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -73.39 -29.34 62.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.663 -0.648 . . . . 0.0 110.187 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.5 -28.47 61.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.662 -0.648 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.2 mmt -83.36 -29.64 28.06 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.524 -0.735 . . . . 0.0 110.224 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.07 -37.35 46.77 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.525 -0.734 . . . . 0.0 110.214 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -66.1 -30.11 70.55 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.574 -0.704 . . . . 0.0 110.107 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.1 t -62.87 -35.01 78.58 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.56 -0.713 . . . . 0.0 110.073 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -86.08 -38.74 17.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.579 -0.701 . . . . 0.0 110.171 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -30.27 70.97 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.572 -0.705 . . . . 0.0 110.149 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.35 -27.83 25.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.589 -0.695 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -95.76 23.49 6.19 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.525 -0.734 . . . . 0.0 110.564 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -135.56 26.1 3.42 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.37 -0.831 . . . . 0.0 110.444 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -94.11 -39.26 10.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.566 -0.709 . . . . 0.0 110.102 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -102.84 30.57 4.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.535 -0.728 . . . . 0.0 110.216 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.25 -57.35 3.54 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.616 -0.678 . . . . 0.0 110.169 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.2 mmt -103.42 35.03 2.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.635 -0.666 . . . . 0.0 110.223 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -112.44 40.55 2.2 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.574 -0.703 . . . . 0.0 110.265 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.221 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mtt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.12 0.486 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.56 -113.19 4.18 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -150.31 -52.37 0.14 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.512 -0.993 . . . . 0.0 110.187 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.44 -103.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.438 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -170.29 -61.45 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 121.615 -0.932 . . . . 0.0 110.293 179.623 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 56.1 Cg_endo -75.01 -42.67 0.47 Allowed 'Trans proline' 0 N--CA 1.486 1.061 0 O-C-N 123.009 1.005 . . . . 0.0 109.642 179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -155.72 -79.66 0.08 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.82 -178.89 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? 61.51 141.91 0.05 OUTLIER Pre-proline 0 N--CA 1.504 2.258 0 O-C-N 121.329 -0.857 . . . . 0.0 110.895 179.589 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.28 156.6 54.84 Favored 'Trans proline' 0 N--CA 1.484 0.961 0 O-C-N 122.989 0.994 . . . . 0.0 110.098 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.2 37.68 1.31 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.493 -0.754 . . . . 0.0 110.271 -179.875 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.46 46.3 10.12 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.862 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.2 mttp 53.1 -163.83 0.09 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.491 -1.005 . . . . 0.0 110.706 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.433 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 38.1 mtp -134.69 122.61 22.45 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.551 -0.718 . . . . 0.0 110.127 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -96.58 179.27 5.06 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.566 -0.709 . . . . 0.0 110.207 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.5 p -69.9 -28.72 65.85 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.637 -0.664 . . . . 0.0 110.213 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -72.21 -28.91 63.48 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.536 -0.727 . . . . 0.0 110.176 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.05 -30.08 58.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.521 -0.737 . . . . 0.0 110.143 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 15.4 m-85 -79.25 -28.66 42.43 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.561 -0.712 . . . . 0.0 110.178 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.06 -50.8 66.98 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.618 -0.676 . . . . 0.0 110.13 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.0 t -72.73 -35.54 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.563 -0.71 . . . . 0.0 109.966 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -45.86 78.13 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.454 -0.779 . . . . 0.0 110.129 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.7 m -70.85 -28.96 64.97 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.566 -0.709 . . . . 0.0 110.113 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.411 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 49.5 m -87.51 4.22 44.35 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.621 -0.674 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.29 -45.58 8.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.184 -0.948 . . . . 0.0 109.939 179.837 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.66 -37.9 83.09 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.615 -0.678 . . . . 0.0 109.796 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 23' ' ' SER . 6.2 pt-20 -67.73 -23.84 65.3 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.682 -0.636 . . . . 0.0 110.239 179.534 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.91 -27.75 64.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.509 -0.744 . . . . 0.0 110.122 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -82.19 4.72 22.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.473 -0.767 . . . . 0.0 111.268 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -100.44 -17.0 17.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.093 -1.005 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -135.58 22.97 3.4 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.277 -0.889 . . . . 0.0 111.049 -179.667 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 82.7 m-70 -145.73 84.98 7.97 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.324 -0.86 . . . . 0.0 110.354 179.717 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.77 -29.24 10.72 Favored 'Trans proline' 0 C--N 1.316 -1.181 0 O-C-N 123.503 1.265 . . . . 0.0 110.395 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -124.1 54.06 1.37 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.549 -0.72 . . . . 0.0 110.443 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.7 97.47 2.37 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.526 -0.734 . . . . 0.0 110.191 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.446 ' C ' HG13 ' A' ' 36' ' ' VAL . 22.7 t -82.72 170.95 14.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.611 -0.68 . . . . 0.0 110.66 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 36' ' ' VAL . 35.9 m -147.52 107.39 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-O 121.251 0.548 . . . . 0.0 110.338 -179.415 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 2.0 p-10 -88.67 53.3 2.67 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.411 -0.806 . . . . 0.0 110.224 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 64.45 -61.58 0.19 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 122.063 -0.398 . . . . 0.0 111.493 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.17 89.72 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.005 -1.06 . . . . 0.0 111.154 -179.03 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.24 -15.24 59.67 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.316 -0.865 . . . . 0.0 110.432 179.639 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -117.62 -45.85 2.68 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 0.0 110.439 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.4 p -55.87 -24.73 38.79 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.602 -0.686 . . . . 0.0 110.092 179.225 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -67.98 -29.8 68.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.576 -0.703 . . . . 0.0 109.694 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -88.74 -38.3 14.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.73 -0.606 . . . . 0.0 110.225 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.9 m -63.42 -29.62 70.89 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.546 -0.721 . . . . 0.0 110.005 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -67.08 -34.85 78.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.546 -0.721 . . . . 0.0 109.897 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -66.01 -33.29 75.47 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.563 -0.71 . . . . 0.0 109.87 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -88.34 -38.68 14.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.623 -0.673 . . . . 0.0 110.017 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -61.88 -52.41 64.22 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.603 -0.685 . . . . 0.0 110.037 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -62.83 -26.06 68.57 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.579 -0.701 . . . . 0.0 110.523 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.3 p -95.13 -14.44 24.18 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.525 -0.735 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mmm -56.47 162.74 2.03 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.154 -0.966 . . . . 0.0 110.582 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -91.17 176.0 6.74 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.536 -0.728 . . . . 0.0 110.45 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.09 -24.72 60.69 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.662 -0.649 . . . . 0.0 110.359 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -68.18 -31.88 71.73 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.495 -0.753 . . . . 0.0 109.759 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -92.82 -39.22 11.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.673 -0.642 . . . . 0.0 109.92 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -63.25 -22.8 67.1 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.69 -0.631 . . . . 0.0 110.328 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.0 p -77.88 -30.87 50.99 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.411 -0.805 . . . . 0.0 110.281 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -62.42 -29.71 70.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.525 -0.734 . . . . 0.0 110.201 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -89.74 -28.92 19.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.555 -0.716 . . . . 0.0 110.204 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.23 -28.85 47.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.517 -0.74 . . . . 0.0 110.208 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.53 -29.02 63.22 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.556 -0.715 . . . . 0.0 110.164 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 49.1 mmm -82.75 -29.7 29.53 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.581 -0.699 . . . . 0.0 110.144 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.64 -33.7 31.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.475 -0.766 . . . . 0.0 110.071 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -66.37 -33.95 76.88 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.566 -0.709 . . . . 0.0 110.092 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.6 t -69.73 -30.55 68.19 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.601 -0.687 . . . . 0.0 110.109 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.93 -35.06 29.52 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.598 -0.689 . . . . 0.0 110.114 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -40.26 87.86 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.622 -0.674 . . . . 0.0 110.329 179.914 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.26 -44.91 62.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.573 -0.704 . . . . 0.0 109.938 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -65.55 -14.16 60.49 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.681 -0.637 . . . . 0.0 110.617 179.672 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -93.91 24.44 4.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.21 -0.931 . . . . 0.0 110.562 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -83.27 -28.64 28.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.363 -0.835 . . . . 0.0 110.184 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -102.84 29.28 5.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.546 -0.721 . . . . 0.0 110.13 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -141.0 -45.36 0.39 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.591 -0.693 . . . . 0.0 110.24 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -31.11 25.49 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.47 -0.769 . . . . 0.0 110.207 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -88.67 -57.9 2.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.59 -0.693 . . . . 0.0 110.242 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.168 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ptp . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.137 0.494 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.99 32.07 8.15 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -115.48 -36.7 4.2 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.587 -0.949 . . . . 0.0 110.187 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.31 155.34 49.45 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.433 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.79 -60.09 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.468 -1.019 . . . . 0.0 110.246 179.702 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.4 Cg_endo -72.84 -42.2 1.19 Allowed 'Trans proline' 0 N--CA 1.488 1.16 0 O-C-N 123.074 1.039 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.14 -53.78 2.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 122.004 -0.435 . . . . 0.0 110.397 -178.866 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.97 159.6 56.97 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.586 -0.697 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.84 166.8 28.98 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 O-C-N 123.381 1.2 . . . . 0.0 110.337 179.897 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -98.92 29.94 3.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.518 -0.739 . . . . 0.0 110.427 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.24 -170.71 43.29 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.88 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -110.46 -33.92 6.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.604 -0.939 . . . . 0.0 110.206 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.6 mtm 53.88 -177.32 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.466 -0.771 . . . . 0.0 110.709 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.449 ' H ' ' HB3' ' A' ' 17' ' ' ALA . 6.5 t -146.48 -179.56 6.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.628 -0.67 . . . . 0.0 110.207 -179.852 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.3 p -59.48 -29.16 67.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.562 -0.711 . . . . 0.0 110.435 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -75.82 -40.94 54.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.48 -0.763 . . . . 0.0 110.101 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB3' ' H ' ' A' ' 14' ' ' SER . . . -68.27 -34.43 76.17 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.541 -0.724 . . . . 0.0 110.007 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -73.7 -29.01 62.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.616 -0.678 . . . . 0.0 110.02 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -61.73 -55.61 28.46 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.569 -0.707 . . . . 0.0 110.079 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.78 -31.09 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.522 -0.736 . . . . 0.0 109.57 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -68.89 -47.47 65.78 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.599 -0.688 . . . . 0.0 109.792 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 m -77.78 -31.71 52.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.675 -0.64 . . . . 0.0 109.74 179.568 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.5 m -70.49 -31.08 68.05 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.608 -0.683 . . . . 0.0 109.822 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -69.93 -42.86 72.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.661 -0.65 . . . . 0.0 109.535 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -63.19 -36.25 83.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.659 -0.65 . . . . 0.0 109.288 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.76 -21.57 66.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.727 -0.608 . . . . 0.0 109.869 179.049 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 63.7 t60 -95.07 34.91 1.32 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.437 -0.789 . . . . 0.0 109.939 179.614 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -120.04 27.16 8.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.083 -1.011 . . . . 0.0 110.408 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.66 -80.61 0.63 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.477 -0.764 . . . . 0.0 110.193 179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -93.39 51.27 1.59 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.284 -0.885 . . . . 0.0 109.846 179.633 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 32.2 m80 -143.15 53.35 2.56 Favored Pre-proline 0 N--CA 1.494 1.737 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.875 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 47.4 Cg_endo -72.86 -49.23 0.25 Allowed 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.285 1.15 . . . . 0.0 110.563 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -87.86 -27.51 22.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.643 -0.661 . . . . 0.0 110.408 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.1 t -76.96 85.52 3.49 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.545 -0.722 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.426 ' C ' HG13 ' A' ' 36' ' ' VAL . 14.4 t -72.5 175.09 6.58 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.523 -0.736 . . . . 0.0 110.195 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 36' ' ' VAL . 29.1 m -146.62 79.95 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.749 -179.245 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 39' ' ' ALA . 4.3 p-10 -71.98 63.6 0.49 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.437 -0.789 . . . . 0.0 110.184 179.561 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 56.86 -81.21 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.766 -0.584 . . . . 0.0 111.565 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -44.12 -45.91 8.41 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.329 -0.857 . . . . 0.0 112.826 -178.521 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -20.89 51.12 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.262 -0.899 . . . . 0.0 110.14 179.522 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -110.27 -39.57 4.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.462 -0.774 . . . . 0.0 109.928 179.396 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 p -56.85 -23.46 44.37 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.408 0.623 . . . . 0.0 109.971 179.304 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -88.91 -27.65 20.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.606 -0.684 . . . . 0.0 110.266 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -85.05 -37.45 20.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.566 -0.708 . . . . 0.0 110.778 -179.62 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.7 p -58.83 -30.11 67.41 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.382 -0.824 . . . . 0.0 110.305 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.5 p -69.49 -40.1 77.24 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.59 -0.694 . . . . 0.0 109.956 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 51' ' ' THR . 5.4 mm-40 -63.99 -32.77 74.43 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.519 -0.738 . . . . 0.0 109.799 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -83.57 -39.66 20.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.585 -0.697 . . . . 0.0 110.046 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -69.49 -36.45 76.53 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.623 -0.673 . . . . 0.0 109.953 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -71.77 -29.45 64.5 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.61 -0.681 . . . . 0.0 110.006 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 47' ' ' GLU . 22.7 p -83.46 -27.31 29.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.613 -0.679 . . . . 0.0 110.235 179.904 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.6 mmm -59.73 147.44 37.77 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.48 -0.763 . . . . 0.0 110.271 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.1 m -100.03 -177.48 3.55 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.615 -0.678 . . . . 0.0 110.297 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.54 -22.69 64.49 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.6 -0.687 . . . . 0.0 110.631 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -69.17 -30.29 68.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.438 -0.789 . . . . 0.0 109.92 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -99.39 -42.36 7.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.718 -0.614 . . . . 0.0 109.96 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -63.24 -22.45 66.88 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.668 -0.645 . . . . 0.0 110.449 179.758 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.1 p -60.97 -29.93 69.96 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.512 -0.743 . . . . 0.0 110.331 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -65.88 -29.25 69.66 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.565 -0.709 . . . . 0.0 110.162 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -92.39 -28.48 16.86 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.579 -0.701 . . . . 0.0 110.206 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -71.98 -29.32 64.12 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.538 -0.726 . . . . 0.0 110.161 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -78.47 -27.98 46.41 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.641 -0.662 . . . . 0.0 110.245 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 96.1 mtp -77.94 -28.61 49.64 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.551 -0.718 . . . . 0.0 110.229 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.38 -29.09 37.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.508 -0.745 . . . . 0.0 110.211 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -77.26 -29.18 53.81 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.562 -0.711 . . . . 0.0 110.206 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -63.58 -36.02 82.41 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.626 -0.671 . . . . 0.0 110.129 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -82.23 -36.37 27.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.61 -0.681 . . . . 0.0 110.158 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.74 -29.96 70.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.587 -0.696 . . . . 0.0 110.174 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.53 -30.01 19.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.571 -0.705 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -77.65 -29.12 51.49 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.504 -0.747 . . . . 0.0 110.228 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -62.19 -26.79 68.55 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.473 -0.767 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -44.35 94.36 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.503 -0.748 . . . . 0.0 110.351 -179.82 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -110.21 33.25 4.57 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.578 -0.701 . . . . 0.0 110.31 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -90.23 -55.19 3.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.565 -0.709 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 73.2 mtp -105.34 -29.04 10.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.565 -0.71 . . . . 0.0 110.291 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -80.29 112.47 17.65 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.568 -0.707 . . . . 0.0 110.209 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.241 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.138 0.494 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.19 -159.46 0.72 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.53 -0.731 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.7 t -161.86 177.86 9.46 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.579 -0.701 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.1 p -77.31 -28.87 53.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.64 -0.662 . . . . 0.0 110.132 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.63 -29.99 70.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.627 -0.67 . . . . 0.0 110.113 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.87 -38.16 46.58 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.59 -0.693 . . . . 0.0 110.021 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.51 -28.46 67.85 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.606 -0.684 . . . . 0.0 110.116 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.94 -53.33 58.57 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.559 -0.713 . . . . 0.0 110.057 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.7 -29.54 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.607 -0.683 . . . . 0.0 109.765 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -72.42 -35.3 68.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.558 -0.713 . . . . 0.0 109.952 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 m -85.23 -32.28 22.71 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.613 -0.679 . . . . 0.0 110.082 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.9 m -75.01 -30.49 61.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.604 -0.685 . . . . 0.0 109.992 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -35.69 63.58 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.621 -0.674 . . . . 0.0 109.985 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.92 -27.19 68.0 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.569 -0.707 . . . . 0.0 110.163 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -95.18 24.2 5.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.52 -0.738 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 27.4 t60 -105.04 -43.73 4.97 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.42 -0.8 . . . . 0.0 110.106 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -58.54 -25.14 62.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -59.1 -27.08 65.24 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.478 -0.764 . . . . 0.0 110.445 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -138.23 23.71 2.76 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.57 -0.706 . . . . 0.0 110.68 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.44 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 83.6 m-70 -146.15 68.61 12.63 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.432 -0.792 . . . . 0.0 109.984 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.77 -44.93 0.57 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.295 1.155 . . . . 0.0 110.401 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -107.38 65.29 0.65 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.637 -0.665 . . . . 0.0 110.217 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 m -148.58 130.69 15.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.601 -0.687 . . . . 0.0 110.241 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.0 p -89.41 102.52 15.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.505 -0.747 . . . . 0.0 110.094 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.6 p -106.21 74.81 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.582 -0.699 . . . . 0.0 110.338 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -58.92 -176.06 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.508 -0.745 . . . . 0.0 109.925 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -72.92 -45.3 58.92 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.434 -0.791 . . . . 0.0 110.188 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.13 -40.91 71.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.281 -0.887 . . . . 0.0 110.585 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.82 -16.69 59.33 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.04 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -113.71 -45.95 3.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.33 -0.856 . . . . 0.0 110.799 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.4 p -56.15 -23.84 37.3 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.498 -0.751 . . . . 0.0 110.196 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -72.46 -34.77 67.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.555 -0.715 . . . . 0.0 109.626 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -82.77 -41.81 18.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.653 -0.654 . . . . 0.0 110.061 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 44.0 m -61.68 -29.48 70.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.513 -0.742 . . . . 0.0 109.959 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.2 p -67.77 -32.82 73.67 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.516 -0.74 . . . . 0.0 109.805 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.49 -32.3 73.03 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.613 -0.679 . . . . 0.0 109.858 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -43.27 12.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.574 -0.704 . . . . 0.0 109.762 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -61.61 -36.79 81.74 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.633 -0.667 . . . . 0.0 109.857 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -71.72 -28.67 63.84 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.617 -0.677 . . . . 0.0 110.145 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.4 p -93.98 -20.09 20.3 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.554 -0.716 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.3 mmm -56.16 155.05 7.03 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.351 -0.843 . . . . 0.0 110.494 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.3 p -103.75 -178.5 3.68 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.665 -0.647 . . . . 0.0 110.299 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.92 -22.13 63.22 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.53 -0.731 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -68.23 -30.52 69.6 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.376 -0.827 . . . . 0.0 109.798 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -100.17 -43.65 6.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.644 -0.66 . . . . 0.0 109.934 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -62.4 -23.05 66.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.667 -0.646 . . . . 0.0 110.313 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.4 p -60.16 -30.05 69.07 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.432 -0.792 . . . . 0.0 110.4 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -66.76 -28.96 68.82 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.493 -0.754 . . . . 0.0 110.245 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -92.84 -28.58 16.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.71 . . . . 0.0 110.305 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.05 -28.59 62.41 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.523 -0.736 . . . . 0.0 110.257 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.49 -28.34 46.38 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.593 -0.692 . . . . 0.0 110.253 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.2 mmt -82.19 -28.36 32.07 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.58 -0.7 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.37 -41.76 46.93 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.617 -0.677 . . . . 0.0 110.18 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -68.47 -28.55 67.14 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.608 -0.682 . . . . 0.0 110.207 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.6 t -61.01 -38.75 87.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.549 -0.719 . . . . 0.0 110.125 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -90.59 -29.1 18.02 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.587 -0.695 . . . . 0.0 110.162 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -63.6 -34.2 77.29 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.528 -0.732 . . . . 0.0 110.17 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.54 -28.65 41.28 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.578 -0.701 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.26 -28.45 69.72 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.558 -0.714 . . . . 0.0 110.225 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.0 t80 . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.505 -0.747 . . . . 0.0 110.188 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? . . . . . 0 N--CA 1.501 2.119 0 CA-C-O 121.056 0.455 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.8 mtp -129.36 -169.58 2.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.602 -0.686 . . . . 0.0 110.254 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t -155.25 168.3 27.5 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.571 -0.705 . . . . 0.0 110.164 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.1 p -70.27 -28.27 65.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.599 -0.688 . . . . 0.0 110.183 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.26 -28.98 62.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.698 . . . . 0.0 110.194 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.6 -38.67 39.42 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.552 -0.718 . . . . 0.0 110.12 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.08 -29.42 66.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.549 -0.719 . . . . 0.0 110.005 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.81 -57.63 11.11 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.59 -0.694 . . . . 0.0 110.049 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.3 t -66.51 -30.05 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.618 -0.677 . . . . 0.0 109.847 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -69.35 -32.24 71.18 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.555 -0.716 . . . . 0.0 110.143 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.4 m -93.93 -28.73 15.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.668 -0.645 . . . . 0.0 110.155 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.6 m -79.76 -27.4 40.47 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.56 -0.713 . . . . 0.0 110.396 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -40.83 72.63 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.529 -0.732 . . . . 0.0 110.012 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.93 -42.43 81.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.616 -0.678 . . . . 0.0 110.002 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.47 -23.49 64.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.636 -0.665 . . . . 0.0 110.372 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -77.79 -47.42 18.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.502 -0.749 . . . . 0.0 110.218 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -62.38 -28.9 70.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.549 -0.719 . . . . 0.0 110.28 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -61.17 -20.95 63.33 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.588 -0.695 . . . . 0.0 110.779 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HG3' ' NE2' ' A' ' 31' ' ' HIS . 2.7 ptmt -133.6 21.24 3.93 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.349 -0.844 . . . . 0.0 110.823 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 30' ' ' LYS . 75.3 m-70 -145.63 64.53 10.52 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.449 -0.782 . . . . 0.0 110.143 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -73.7 -29.89 10.17 Favored 'Trans proline' 0 C--N 1.317 -1.084 0 O-C-N 123.275 1.145 . . . . 0.0 110.427 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -83.54 -28.33 28.68 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.569 -0.707 . . . . 0.0 110.377 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -93.64 -169.74 2.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.489 -0.757 . . . . 0.0 110.291 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -143.44 -177.92 5.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.644 -0.66 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.8 p -167.77 103.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.604 -0.685 . . . . 0.0 110.567 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -81.25 -164.93 0.83 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.448 -0.783 . . . . 0.0 109.389 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -84.36 -51.51 6.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.319 -0.863 . . . . 0.0 109.975 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.87 75.52 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.325 -0.86 . . . . 0.0 110.729 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.74 -16.71 58.85 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.17 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -114.48 -45.29 3.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.882 . . . . 0.0 110.809 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -56.06 -23.4 33.32 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.467 -0.771 . . . . 0.0 110.079 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -74.35 -30.66 62.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.538 -0.726 . . . . 0.0 109.623 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -89.55 -32.86 16.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.668 -0.645 . . . . 0.0 110.124 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.2 m -61.33 -29.39 69.86 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.476 -0.765 . . . . 0.0 110.007 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.0 p -65.54 -34.79 79.08 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.564 -0.71 . . . . 0.0 109.865 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -63.41 -29.26 70.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.633 -0.667 . . . . 0.0 109.955 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -94.58 -32.75 13.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.518 -0.738 . . . . 0.0 110.086 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -67.75 -41.46 83.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.629 -0.67 . . . . 0.0 110.169 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -76.5 -26.49 55.33 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.492 -0.755 . . . . 0.0 110.544 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.1 p -91.46 -22.58 20.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.487 -0.758 . . . . 0.0 110.629 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.6 mtp -58.07 168.42 1.01 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.334 -0.854 . . . . 0.0 110.403 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.0 m -106.94 -176.77 3.17 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.575 -0.703 . . . . 0.0 110.355 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.28 61.95 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.691 -0.631 . . . . 0.0 110.678 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.79 -30.45 69.89 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.357 -0.839 . . . . 0.0 109.793 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.59 -42.07 7.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.763 -0.586 . . . . 0.0 109.808 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -65.4 -21.37 66.66 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.703 -0.623 . . . . 0.0 110.48 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 p -69.54 -30.93 68.86 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.325 -0.859 . . . . 0.0 110.342 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -67.57 -28.86 68.13 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.495 -0.753 . . . . 0.0 110.21 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -89.96 -28.45 19.13 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.657 -0.652 . . . . 0.0 110.378 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -75.02 -28.29 60.42 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.574 -0.704 . . . . 0.0 110.323 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.34 -28.04 52.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.551 -0.718 . . . . 0.0 110.336 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.6 mmt -76.23 -29.69 57.65 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.706 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.65 -35.21 27.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.626 -0.671 . . . . 0.0 110.195 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -69.62 -28.88 66.29 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.595 -0.691 . . . . 0.0 110.213 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 t -62.5 -43.55 98.54 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.581 -0.699 . . . . 0.0 110.09 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.44 -29.26 41.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.626 -0.671 . . . . 0.0 110.217 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -62.31 -28.17 69.55 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.598 -0.689 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.87 -28.48 32.95 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.593 -0.692 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -68.84 -28.76 67.02 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.479 -0.763 . . . . 0.0 110.219 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.0 t80 . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.576 -0.703 . . . . 0.0 110.174 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 121.055 0.455 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.13 -168.98 2.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.536 -0.727 . . . . 0.0 110.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -150.79 168.73 23.54 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.633 -0.667 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.6 p -70.07 -28.18 65.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.571 -0.706 . . . . 0.0 110.226 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.31 -29.17 64.71 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.525 -0.735 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.9 -37.67 39.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.578 -0.701 . . . . 0.0 110.135 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.96 -28.61 63.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.568 -0.707 . . . . 0.0 110.094 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 49' ' ' TRP . 49.8 t80 -61.6 -52.13 65.67 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.593 -0.692 . . . . 0.0 110.179 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.9 t -64.04 -28.38 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.575 -0.703 . . . . 0.0 110.01 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -74.28 -51.61 14.77 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.544 -0.723 . . . . 0.0 110.2 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -62.51 -28.6 69.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.499 -0.751 . . . . 0.0 110.144 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 m -80.6 -28.86 36.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.543 -0.723 . . . . 0.0 110.17 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -49.94 72.71 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.586 -0.696 . . . . 0.0 110.1 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.37 -38.61 87.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.613 -0.679 . . . . 0.0 110.064 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -70.85 -14.42 62.39 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.633 -0.667 . . . . 0.0 110.782 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.438 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 39.9 t60 -94.18 24.0 4.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.337 -0.852 . . . . 0.0 110.519 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -118.2 -36.11 3.66 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.29 -0.882 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -69.55 -37.06 76.89 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.629 -0.669 . . . . 0.0 110.23 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 24.9 pttt -96.22 14.62 23.49 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.561 -0.712 . . . . 0.0 111.003 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CD2' ' CE1' ' A' ' 27' ' ' HIS . 55.2 m-70 -144.48 89.15 6.95 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.257 -0.902 . . . . 0.0 109.946 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.51 -32.02 10.36 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 O-C-N 123.375 1.197 . . . . 0.0 110.679 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -144.82 83.66 1.71 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.523 -0.735 . . . . 0.0 110.305 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t -154.2 130.64 10.56 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.571 -0.705 . . . . 0.0 110.129 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -76.88 151.58 35.75 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.548 -0.72 . . . . 0.0 109.965 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -162.95 71.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.616 -0.677 . . . . 0.0 110.42 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -59.49 -168.5 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -78.53 -40.74 34.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.418 -0.801 . . . . 0.0 110.137 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.45 -45.93 57.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.262 -0.899 . . . . 0.0 110.506 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -60.98 -17.84 54.05 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.911 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -107.79 -48.26 3.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.318 -0.864 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.6 p -53.45 -24.72 13.61 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.41 -0.806 . . . . 0.0 110.333 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -30.78 69.64 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.518 -0.739 . . . . 0.0 109.448 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.19 -44.19 11.66 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.662 -0.649 . . . . 0.0 110.184 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.76 -28.62 68.86 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.549 -0.719 . . . . 0.0 110.04 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.3 p -70.31 -36.13 74.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.549 -0.719 . . . . 0.0 109.757 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.13 -34.49 73.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.575 -0.703 . . . . 0.0 109.716 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -81.39 -46.29 14.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.739 -0.6 . . . . 0.0 109.932 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.418 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 74.8 t-105 -61.39 -31.0 70.9 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.628 -0.67 . . . . 0.0 109.919 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -77.74 -28.39 50.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.602 -0.686 . . . . 0.0 110.134 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.7 p -96.91 -15.71 21.04 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.611 -0.68 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.1 mmm -56.02 160.49 2.78 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.225 -0.922 . . . . 0.0 110.604 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t -110.33 -178.28 3.46 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.538 -0.727 . . . . 0.0 110.345 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.3 -18.57 63.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.721 -0.612 . . . . 0.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -70.68 -29.74 66.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.306 -0.872 . . . . 0.0 109.955 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -102.62 -43.3 5.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.63 -0.669 . . . . 0.0 110.025 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 10.7 mtmm -62.17 -23.34 66.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.666 -0.646 . . . . 0.0 110.402 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 p -59.68 -28.7 67.51 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.343 -0.848 . . . . 0.0 110.376 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -77.29 -29.02 53.58 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.525 -0.735 . . . . 0.0 110.183 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -89.19 -28.17 20.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.508 -0.745 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -75.23 -28.51 59.95 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.532 -0.73 . . . . 0.0 110.257 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.03 -28.25 61.34 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.533 -0.729 . . . . 0.0 110.229 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 48.4 mmm -80.7 -28.36 36.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.564 -0.71 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.67 34.48 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.534 -0.729 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -78.45 -28.75 46.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.522 -0.736 . . . . 0.0 110.248 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.4 t -64.01 -46.58 83.88 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.589 -0.695 . . . . 0.0 110.224 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -72.9 -29.1 62.88 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -66.56 -32.86 74.48 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.568 -0.707 . . . . 0.0 110.196 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -96.13 -32.09 12.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.636 -0.665 . . . . 0.0 110.233 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -70.09 -24.21 63.18 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.561 -0.712 . . . . 0.0 110.443 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.9 t80 . . . . . 0 N--CA 1.498 1.968 0 O-C-N 121.419 -0.801 . . . . 0.0 110.46 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.173 0.511 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.4 tpp -149.33 119.36 7.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.538 -0.726 . . . . 0.0 110.188 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.424 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.2 t -83.79 -179.27 7.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.622 -0.674 . . . . 0.0 110.17 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 p -74.16 -28.67 61.42 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.549 -0.719 . . . . 0.0 110.078 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -66.41 -29.33 69.46 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.535 -0.728 . . . . 0.0 110.162 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.4 69.38 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.665 -0.647 . . . . 0.0 110.051 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -78.6 -29.24 45.94 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.566 -0.709 . . . . 0.0 110.151 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -63.54 -52.4 61.29 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.574 -0.704 . . . . 0.0 110.104 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.47 -28.69 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.596 -0.69 . . . . 0.0 109.847 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -72.53 -38.21 68.11 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.544 -0.722 . . . . 0.0 110.104 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.1 m -83.48 -29.14 28.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.662 -0.649 . . . . 0.0 110.153 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 m -78.28 -28.64 47.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.579 -0.7 . . . . 0.0 110.218 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -73.91 -38.91 64.18 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.6 -0.687 . . . . 0.0 110.079 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.71 -52.02 66.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.526 -0.734 . . . . 0.0 110.013 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.53 -26.21 66.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.563 -0.711 . . . . 0.0 110.152 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -78.71 -35.64 44.62 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.545 -0.722 . . . . 0.0 109.903 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -77.25 63.63 2.51 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.608 -0.683 . . . . 0.0 109.883 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -168.25 -41.24 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.674 -0.641 . . . . 0.0 109.96 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 5.6 ptpt -107.84 23.58 14.25 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.613 -0.68 . . . . 0.0 110.586 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 74.4 m-70 -145.09 77.0 13.28 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.492 -0.755 . . . . 0.0 110.075 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.0 -50.36 0.2 Allowed 'Trans proline' 0 C--N 1.318 -1.038 0 O-C-N 123.296 1.156 . . . . 0.0 110.537 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.39 58.71 3.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.591 -0.693 . . . . 0.0 110.244 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -166.18 130.18 2.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 0.0 110.225 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.2 m -89.17 177.63 6.57 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.564 -0.71 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.7 p -167.52 69.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.497 -0.752 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -60.41 -173.14 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.539 -0.726 . . . . 0.0 109.657 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -73.08 -42.69 62.76 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.89 67.25 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.298 -0.876 . . . . 0.0 110.581 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -62.58 -16.68 57.61 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.05 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -112.74 -44.69 3.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.929 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.6 p -57.41 -23.04 46.96 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.456 -0.778 . . . . 0.0 110.172 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -78.75 -30.67 45.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.541 -0.724 . . . . 0.0 109.781 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -85.15 -46.29 11.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.62 -0.675 . . . . 0.0 110.159 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.28 -28.51 69.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.55 -0.719 . . . . 0.0 110.085 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.1 p -68.42 -32.78 73.06 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.565 -0.709 . . . . 0.0 110.029 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -65.09 -35.16 80.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.59 -0.694 . . . . 0.0 109.951 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -88.03 -39.62 14.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.625 -0.672 . . . . 0.0 110.051 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.407 ' CH2' ' HB2' ' A' ' 57' ' ' LYS . 69.5 t-105 -60.51 -49.23 78.39 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.574 -0.704 . . . . 0.0 110.193 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -64.29 -26.19 68.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.59 -0.694 . . . . 0.0 110.487 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -93.36 -22.18 19.1 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.474 -0.766 . . . . 0.0 110.703 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.19 135.97 57.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.412 -0.805 . . . . 0.0 110.426 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.2 m -77.93 154.68 31.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.552 -0.717 . . . . 0.0 110.223 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 57' ' ' LYS . . . -49.8 -28.43 6.33 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.49 -0.756 . . . . 0.0 111.148 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -72.27 -25.66 61.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.512 -0.743 . . . . 0.0 110.098 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -91.29 -33.35 15.37 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.476 -0.765 . . . . 0.0 110.347 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 14.6 ptpt -95.9 26.92 3.81 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.451 -0.781 . . . . 0.0 110.503 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.7 p -82.54 -29.64 30.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.436 -0.79 . . . . 0.0 110.233 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -70.94 -29.62 65.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.595 -0.691 . . . . 0.0 110.122 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -86.76 -29.19 22.54 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.624 -0.673 . . . . 0.0 110.18 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.06 -29.66 55.24 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.62 -0.675 . . . . 0.0 110.134 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.99 -29.13 58.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.607 -0.683 . . . . 0.0 110.029 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.8 mmt -81.21 -29.17 34.61 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 110.124 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -79.67 -30.1 41.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.506 -0.746 . . . . 0.0 110.127 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -29.76 65.17 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.65 -0.657 . . . . 0.0 110.052 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -71.95 -30.97 65.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.541 -0.725 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -87.28 -29.59 21.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.603 -0.685 . . . . 0.0 110.105 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.72 -30.4 68.01 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.598 -0.689 . . . . 0.0 110.129 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.42 -28.07 21.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.574 -0.704 . . . . 0.0 110.353 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -60.86 -29.22 69.4 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.581 -0.699 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.8 t80 . . . . . 0 N--CA 1.496 1.838 0 O-C-N 121.515 -0.741 . . . . 0.0 110.09 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.075 0.464 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.95 -168.47 1.55 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.568 -0.708 . . . . 0.0 110.234 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.492 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 5.9 t -161.95 175.43 11.84 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.548 -0.72 . . . . 0.0 110.224 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.9 p -65.38 -28.94 69.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.601 -0.687 . . . . 0.0 110.231 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -77.86 -28.97 50.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.557 -0.714 . . . . 0.0 110.191 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.97 -29.34 39.54 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.581 -0.699 . . . . 0.0 110.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -80.85 -29.08 35.89 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.602 -0.686 . . . . 0.0 110.122 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.65 -48.44 77.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.655 -0.653 . . . . 0.0 110.133 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -71.96 -30.11 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.609 -0.682 . . . . 0.0 109.843 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -71.52 -33.19 68.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.585 -0.697 . . . . 0.0 110.052 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.8 m -87.3 -29.53 21.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.635 -0.666 . . . . 0.0 110.058 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -80.21 -32.05 38.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.602 -0.686 . . . . 0.0 110.129 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -69.84 -39.84 76.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.647 -0.658 . . . . 0.0 110.008 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.1 -54.63 38.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.649 -0.657 . . . . 0.0 110.016 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -61.08 -27.84 68.65 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.619 -0.675 . . . . 0.0 110.104 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -73.7 -24.83 59.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.576 -0.703 . . . . 0.0 110.329 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -91.65 18.68 7.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.444 -0.785 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -111.22 -20.31 12.37 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.343 -0.848 . . . . 0.0 110.427 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -134.84 25.81 3.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.417 -0.802 . . . . 0.0 110.634 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 86.1 m-70 -146.27 62.61 8.17 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 110.06 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.67 -28.78 13.65 Favored 'Trans proline' 0 C--N 1.317 -1.08 0 O-C-N 123.281 1.148 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -107.89 41.26 1.56 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.61 -0.681 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -137.73 135.07 36.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.557 -0.714 . . . . 0.0 110.2 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 m -89.75 140.22 29.8 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.584 -0.698 . . . . 0.0 110.212 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.6 p -144.55 69.23 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.619 -0.676 . . . . 0.0 110.237 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.21 177.1 0.14 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.459 -0.776 . . . . 0.0 109.793 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -64.75 -46.9 80.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.359 -0.838 . . . . 0.0 110.379 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.54 81.84 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.159 -0.963 . . . . 0.0 110.871 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.61 -12.6 60.79 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.586 -0.846 . . . . 0.0 110.273 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -117.81 -42.97 2.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.315 -0.866 . . . . 0.0 110.448 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.6 p -57.2 -22.16 38.75 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.637 -0.665 . . . . 0.0 109.941 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -83.65 -25.87 30.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.503 -0.748 . . . . 0.0 110.33 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -84.35 -42.64 15.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.435 -0.791 . . . . 0.0 110.912 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.1 p -57.95 -30.86 66.32 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.364 -0.835 . . . . 0.0 110.49 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 p -67.94 -39.05 83.53 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.585 -0.697 . . . . 0.0 110.045 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.82 -35.67 80.68 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.632 -0.668 . . . . 0.0 109.932 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -85.91 -37.56 18.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.675 -0.64 . . . . 0.0 110.008 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -67.12 -34.05 76.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.58 -0.7 . . . . 0.0 109.955 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -76.42 -29.54 57.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.571 -0.706 . . . . 0.0 110.075 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.5 p -84.79 -23.77 29.02 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.594 -0.691 . . . . 0.0 110.483 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.5 mmm -57.57 155.44 9.68 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.41 -0.806 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -100.91 -179.54 4.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.601 -0.687 . . . . 0.0 110.353 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.91 -22.59 63.2 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.598 -0.689 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -68.85 -30.44 68.97 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.43 -0.794 . . . . 0.0 109.795 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -98.26 -43.58 6.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.652 -0.655 . . . . 0.0 109.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -61.12 -23.6 65.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.675 -0.641 . . . . 0.0 110.24 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.8 p -67.15 -31.48 71.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.461 -0.774 . . . . 0.0 110.266 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -66.94 -29.44 69.31 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.596 -0.69 . . . . 0.0 110.154 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -93.57 -28.72 15.88 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.569 -0.707 . . . . 0.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.07 -28.62 43.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.591 -0.693 . . . . 0.0 110.204 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -76.3 -28.37 56.96 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.48 -0.762 . . . . 0.0 110.226 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.4 mmt -78.26 -28.74 47.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.542 -0.724 . . . . 0.0 110.247 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -79.75 -30.69 40.85 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.621 -0.674 . . . . 0.0 110.272 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -74.39 -28.77 61.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.592 -0.693 . . . . 0.0 110.125 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t -61.62 -52.14 65.6 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.627 -0.671 . . . . 0.0 110.151 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -70.61 -28.81 65.13 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.615 -0.678 . . . . 0.0 110.221 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -61.34 -28.7 69.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.59 -0.694 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.04 -28.79 65.76 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.582 -0.699 . . . . 0.0 110.29 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -67.13 -28.57 68.25 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.561 -0.712 . . . . 0.0 110.177 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.4 t80 . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.542 -0.724 . . . . 0.0 110.163 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.2 mttt . . . . . 0 N--CA 1.501 2.081 0 CA-C-O 121.093 0.473 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 mtt -133.39 -168.06 2.03 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.543 -0.723 . . . . 0.0 110.172 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.427 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 11.8 t -153.08 178.63 9.51 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.572 -0.705 . . . . 0.0 110.207 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.8 p -68.75 -28.89 67.21 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.616 -0.677 . . . . 0.0 110.216 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.21 -29.08 63.63 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.615 -0.678 . . . . 0.0 110.109 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -33.92 52.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.557 -0.714 . . . . 0.0 110.026 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -80.11 -29.61 38.98 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.645 -0.659 . . . . 0.0 110.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -63.73 -54.68 31.67 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.658 -0.651 . . . . 0.0 109.999 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.6 t -63.73 -34.8 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.536 -0.727 . . . . 0.0 109.678 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.76 -49.14 71.91 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.61 -0.681 . . . . 0.0 110.073 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 m -69.2 -28.97 66.85 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.602 -0.686 . . . . 0.0 110.088 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 m -81.85 -28.02 33.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.594 -0.691 . . . . 0.0 110.219 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -39.75 65.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.556 -0.715 . . . . 0.0 109.972 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.16 -49.77 74.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.571 -0.705 . . . . 0.0 109.924 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -61.33 -27.69 68.67 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.61 -0.681 . . . . 0.0 110.071 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.422 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 15.3 t60 -77.67 -7.31 56.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.522 -0.736 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -94.6 23.85 5.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.152 -0.967 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -123.67 -44.09 2.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 109.766 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -95.93 22.42 7.44 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.762 -0.586 . . . . 0.0 110.628 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 81.4 m-70 -145.81 89.67 6.09 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 110.14 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.97 -50.79 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.088 0 O-C-N 123.4 1.211 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -124.66 53.03 1.49 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.583 -0.698 . . . . 0.0 110.145 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.94 -19.47 10.38 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.549 -0.719 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m 56.17 172.47 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.228 -0.92 . . . . 0.0 110.376 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.1 p -168.32 79.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.492 -0.755 . . . . 0.0 110.56 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -59.86 172.9 0.66 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.349 -0.844 . . . . 0.0 109.715 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -67.55 -47.12 70.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.377 -0.827 . . . . 0.0 110.411 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.543 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -70.21 -39.14 75.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.336 -0.852 . . . . 0.0 110.674 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -64.36 -15.53 60.57 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.656 -0.817 . . . . 0.0 110.152 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -115.81 -46.24 2.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.882 . . . . 0.0 110.639 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.543 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 78.1 p -55.39 -23.79 26.43 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.603 -0.686 . . . . 0.0 110.119 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -70.86 -29.75 65.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.594 -0.692 . . . . 0.0 109.663 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -88.93 -44.96 10.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.1 m -60.96 -28.98 69.37 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.59 -0.694 . . . . 0.0 110.068 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.8 p -73.47 -36.42 65.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.632 -0.668 . . . . 0.0 109.8 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.07 -30.96 69.4 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.633 -0.667 . . . . 0.0 109.75 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -88.63 -38.59 14.71 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.628 -0.67 . . . . 0.0 109.88 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -62.78 -54.19 42.78 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.647 -0.658 . . . . 0.0 109.791 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -60.26 -25.95 66.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.675 -0.641 . . . . 0.0 110.523 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.4 p -95.72 -15.69 22.46 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.533 -0.73 . . . . 0.0 111.01 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 167.03 1.06 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.218 -0.926 . . . . 0.0 110.578 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.2 m -95.36 172.74 7.91 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.544 -0.722 . . . . 0.0 110.38 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.08 -24.48 64.15 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.619 -0.676 . . . . 0.0 110.518 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -68.67 -30.55 69.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.413 -0.805 . . . . 0.0 109.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -96.16 -38.54 10.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.625 -0.672 . . . . 0.0 109.897 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -69.84 -19.06 63.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.696 -0.628 . . . . 0.0 110.53 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 p -79.0 -30.06 44.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.379 -0.826 . . . . 0.0 110.39 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -62.88 -29.2 70.58 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.479 -0.763 . . . . 0.0 110.199 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -94.19 -29.02 15.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.589 -0.694 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -72.95 -29.31 62.99 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.537 -0.727 . . . . 0.0 110.19 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -79.71 -28.31 40.6 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.567 -0.708 . . . . 0.0 110.221 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.3 mtt -79.26 -28.77 42.4 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.548 -0.72 . . . . 0.0 110.278 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.85 -32.31 46.02 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.522 -0.737 . . . . 0.0 110.107 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -70.37 -29.27 65.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.568 -0.707 . . . . 0.0 110.177 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 t -62.67 -41.48 99.1 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.583 -0.698 . . . . 0.0 110.134 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -82.91 -29.29 29.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.548 -0.72 . . . . 0.0 110.193 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -63.86 -29.17 70.39 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.575 -0.703 . . . . 0.0 110.165 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.25 -29.14 14.66 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.606 -0.684 . . . . 0.0 110.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -70.87 -27.9 64.17 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.55 -0.719 . . . . 0.0 110.203 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 110.679 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.12 0.486 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -106.96 -75.88 0.62 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.539 -0.726 . . . . 0.0 110.204 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -169.55 -175.86 2.28 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.432 -0.793 . . . . 0.0 110.205 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -70.74 -28.3 64.6 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.658 -0.651 . . . . 0.0 110.177 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -75.45 -29.09 59.54 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.507 -0.746 . . . . 0.0 110.155 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.62 -40.22 66.63 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.572 -0.705 . . . . 0.0 109.908 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -70.84 -28.91 64.95 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.673 -0.642 . . . . 0.0 109.987 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.97 -50.85 71.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.605 -0.684 . . . . 0.0 110.186 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.99 -30.6 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.533 -0.729 . . . . 0.0 109.893 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -70.25 -41.42 73.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.533 -0.729 . . . . 0.0 110.122 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.1 m -80.37 -27.79 38.14 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.571 -0.706 . . . . 0.0 110.247 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.4 m -76.23 -26.21 55.84 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.593 -0.692 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -70.69 -44.42 67.01 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.514 -0.741 . . . . 0.0 109.993 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -60.82 -40.85 94.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.546 -0.721 . . . . 0.0 109.842 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -71.67 -18.93 62.15 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.705 -0.622 . . . . 0.0 110.262 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 33.1 t60 -96.87 30.2 2.77 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.417 -0.802 . . . . 0.0 110.105 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -126.89 -51.28 1.45 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.424 -0.798 . . . . 0.0 110.501 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -61.73 -26.85 68.32 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.599 -0.688 . . . . 0.0 110.495 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 18.7 ptpt -105.41 -23.51 12.82 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.54 -0.725 . . . . 0.0 110.609 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.416 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 49.1 m-70 -117.43 69.7 5.97 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 121.422 -0.799 . . . . 0.0 110.305 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.2 -49.69 0.22 Allowed 'Trans proline' 0 C--N 1.317 -1.106 0 O-C-N 123.256 1.134 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.46 59.1 2.89 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.587 -0.696 . . . . 0.0 110.185 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.0 m -150.76 132.47 14.93 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.553 -0.717 . . . . 0.0 110.231 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -80.68 144.36 32.32 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.571 -0.706 . . . . 0.0 110.109 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.1 p -156.04 69.22 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.581 -0.699 . . . . 0.0 110.225 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.18 -178.26 0.08 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.481 -0.762 . . . . 0.0 109.767 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -72.06 -41.06 67.85 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.386 -0.821 . . . . 0.0 110.202 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.47 -43.48 63.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.272 -0.892 . . . . 0.0 110.506 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.42 -16.65 56.22 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.921 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -110.94 -45.49 3.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.284 -0.885 . . . . 0.0 111.008 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.4 p -56.5 -24.21 44.75 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.445 -0.785 . . . . 0.0 110.173 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -80.6 -29.71 36.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.573 -0.705 . . . . 0.0 109.78 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.73 -40.33 15.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.561 -0.712 . . . . 0.0 110.224 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.6 m -60.63 -29.68 69.4 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.602 -0.686 . . . . 0.0 109.989 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -34.79 66.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.513 -0.742 . . . . 0.0 109.859 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.19 -28.26 69.55 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.572 -0.705 . . . . 0.0 109.899 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -95.66 -40.84 9.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.665 -0.647 . . . . 0.0 109.827 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -60.16 -41.63 93.23 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.651 -0.656 . . . . 0.0 109.759 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -66.42 -16.9 64.45 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.613 -0.679 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -118.76 -1.15 11.13 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.283 -0.886 . . . . 0.0 111.182 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmm -59.2 164.93 2.85 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.152 -0.967 . . . . 0.0 110.235 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -89.78 166.39 13.58 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.492 -0.755 . . . . 0.0 110.334 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.83 -23.47 66.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.597 -0.69 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -73.63 -30.43 62.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.426 -0.796 . . . . 0.0 109.863 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -94.7 -34.25 12.62 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.722 -0.611 . . . . 0.0 109.938 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -73.69 -25.05 60.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.637 -0.665 . . . . 0.0 110.254 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -69.42 -31.16 69.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.516 -0.74 . . . . 0.0 110.22 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -64.45 -32.05 73.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.611 -0.68 . . . . 0.0 110.114 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -90.86 -29.13 17.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.543 -0.723 . . . . 0.0 110.174 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.74 -29.83 29.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.635 -0.665 . . . . 0.0 110.179 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.01 -29.04 29.21 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.587 -0.696 . . . . 0.0 110.123 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.7 mtt -77.93 -29.29 49.89 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.569 -0.707 . . . . 0.0 110.131 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.59 -33.83 41.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.575 -0.703 . . . . 0.0 110.169 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -81.05 -30.27 34.86 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.579 -0.701 . . . . 0.0 110.156 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 t -66.94 -33.13 74.91 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.623 -0.673 . . . . 0.0 110.028 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.03 -29.06 23.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.586 -0.696 . . . . 0.0 110.118 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.46 -34.34 74.23 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.625 -0.672 . . . . 0.0 110.153 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.05 -29.51 60.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.559 -0.713 . . . . 0.0 110.066 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -71.82 -27.83 63.17 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.635 -0.666 . . . . 0.0 110.156 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.4 t80 . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.569 -0.707 . . . . 0.0 110.275 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt . . . . . 0 N--CA 1.501 2.104 0 CA-C-O 121.078 0.466 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.442 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 29.7 mtt -138.79 -41.15 0.49 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.558 -0.714 . . . . 0.0 110.812 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.597 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 1.3 t 62.48 162.01 0.09 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.182 -0.949 . . . . 0.0 110.115 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 77.8 p -58.78 -30.56 67.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.624 -0.673 . . . . 0.0 110.887 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -60.74 -25.9 66.8 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.458 -0.776 . . . . 0.0 110.616 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -81.37 -34.93 31.42 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.476 -0.765 . . . . 0.0 110.408 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -76.29 -25.83 55.27 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.527 -0.733 . . . . 0.0 110.491 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -69.04 -49.86 53.8 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.35 -0.844 . . . . 0.0 110.312 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t -72.42 -31.35 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.559 -0.713 . . . . 0.0 110.003 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -71.49 -29.18 64.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.538 -0.726 . . . . 0.0 110.182 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.3 m -97.57 -27.55 14.35 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.556 -0.715 . . . . 0.0 110.289 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -76.4 -28.55 56.75 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.633 -0.667 . . . . 0.0 110.234 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -76.54 -35.5 58.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.597 -0.69 . . . . 0.0 110.147 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.71 -50.05 66.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.664 -0.648 . . . . 0.0 110.071 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -63.08 -24.16 67.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.611 -0.681 . . . . 0.0 110.423 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -68.81 -46.87 67.53 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.414 -0.804 . . . . 0.0 110.226 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -62.1 -28.05 69.35 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.572 -0.705 . . . . 0.0 110.432 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -60.71 -26.6 67.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.52 -0.738 . . . . 0.0 110.486 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -128.33 19.6 6.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.504 -0.748 . . . . 0.0 110.871 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 78.1 m-70 -144.87 63.28 10.16 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.442 -0.786 . . . . 0.0 110.184 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.02 -41.28 1.4 Allowed 'Trans proline' 0 C--N 1.318 -1.057 0 O-C-N 123.272 1.143 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.81 55.55 1.38 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.618 -0.676 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 m -152.13 -158.4 0.9 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.56 -0.712 . . . . 0.0 110.144 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -151.72 160.65 43.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.571 -0.706 . . . . 0.0 110.168 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.0 p -156.23 70.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.605 -0.684 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -58.84 172.64 0.51 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.547 -0.721 . . . . 0.0 109.731 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' SER . 83.6 m-85 -62.67 -64.71 0.84 Allowed 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.32 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.66 -49.17 68.53 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.495 -0.753 . . . . 0.0 111.892 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -54.18 -23.68 15.33 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.189 -0.944 . . . . 0.0 110.277 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -105.75 -26.98 11.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.546 -0.721 . . . . 0.0 110.17 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' PHE . 4.8 p -64.24 -26.7 68.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.664 -0.647 . . . . 0.0 109.443 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -84.81 -25.47 28.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.745 -0.597 . . . . 0.0 110.349 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -84.73 -41.94 15.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.512 -0.743 . . . . 0.0 110.754 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.3 p -58.9 -31.3 68.49 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.444 -0.785 . . . . 0.0 110.45 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.9 p -67.58 -34.26 76.67 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.593 -0.692 . . . . 0.0 110.12 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.6 -28.83 68.81 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.59 -0.694 . . . . 0.0 110.073 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -94.52 -42.18 8.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.591 -0.693 . . . . 0.0 110.251 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.413 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 72.4 t-105 -60.64 -29.86 69.52 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.635 -0.665 . . . . 0.0 110.248 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -80.95 -27.72 35.94 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.536 -0.728 . . . . 0.0 110.371 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.7 p -84.35 -26.59 28.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.528 -0.733 . . . . 0.0 110.464 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.8 mmm -59.36 152.31 21.54 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.376 -0.828 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.5 t -107.36 -173.8 2.38 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.579 -0.7 . . . . 0.0 110.293 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.73 -20.7 65.95 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.592 -0.692 . . . . 0.0 110.701 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -72.84 -27.99 62.26 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.357 -0.84 . . . . 0.0 110.142 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -105.78 -25.36 12.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.622 -0.674 . . . . 0.0 110.483 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HE3' ' CE2' ' A' ' 49' ' ' TRP . 39.1 mtpt -95.71 27.59 3.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.415 -0.803 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 p -105.06 -33.27 8.36 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.47 -0.769 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -70.98 -30.21 66.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.569 -0.707 . . . . 0.0 110.36 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -76.47 -33.16 58.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.58 -0.7 . . . . 0.0 110.186 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.54 -30.41 71.44 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.568 -0.708 . . . . 0.0 110.209 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -71.94 -28.66 63.61 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.576 -0.703 . . . . 0.0 110.18 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.0 mmt -80.97 -33.14 34.04 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.559 -0.713 . . . . 0.0 110.187 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -70.75 -39.52 73.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.688 -0.632 . . . . 0.0 110.155 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -62.95 -26.93 69.05 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.638 -0.664 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.0 t -59.89 -47.26 86.48 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.486 -0.759 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -82.46 -40.44 21.14 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.553 -0.717 . . . . 0.0 110.175 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -62.68 -28.23 69.78 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.679 -0.638 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.07 -30.72 31.17 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.651 -0.655 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -85.13 -28.63 25.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.526 -0.734 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.59 -0.694 . . . . 0.0 110.21 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.107 0.479 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.417 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 22.4 mtt -148.74 115.59 6.02 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.539 -0.726 . . . . 0.0 110.181 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.532 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 11.5 t -78.05 179.79 6.59 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.53 -0.732 . . . . 0.0 110.245 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.1 p -71.81 -28.61 63.7 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.62 -0.675 . . . . 0.0 110.205 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -74.12 -28.83 61.53 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.555 -0.716 . . . . 0.0 110.146 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.99 -45.4 61.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.59 -0.694 . . . . 0.0 110.102 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 30.2 m-85 -62.23 -29.07 70.13 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.541 -0.724 . . . . 0.0 110.101 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.86 -59.81 4.34 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.622 -0.674 . . . . 0.0 110.215 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.81 -29.6 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.592 -0.692 . . . . 0.0 109.88 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -69.46 -33.43 72.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.543 -0.723 . . . . 0.0 110.093 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.3 m -89.24 -29.28 19.35 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.6 -0.688 . . . . 0.0 110.137 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.6 m -79.63 -29.54 41.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.6 -0.688 . . . . 0.0 110.108 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -33.21 43.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.629 -0.669 . . . . 0.0 110.09 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.14 -28.93 68.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.643 -0.66 . . . . 0.0 110.15 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -96.01 24.35 5.62 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.491 -0.756 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -104.49 -45.36 4.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.462 -0.774 . . . . 0.0 110.121 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -61.17 -26.86 68.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.677 -0.639 . . . . 0.0 110.413 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -59.7 -27.06 66.11 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.477 -0.765 . . . . 0.0 110.491 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -131.4 21.01 4.76 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.469 -0.769 . . . . 0.0 110.818 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.443 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 80.3 m-70 -145.33 75.56 13.67 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.393 -0.817 . . . . 0.0 110.123 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.05 -46.27 0.39 Allowed 'Trans proline' 0 C--N 1.318 -1.074 0 O-C-N 123.283 1.149 . . . . 0.0 110.407 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.01 64.54 0.68 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.574 -0.704 . . . . 0.0 110.191 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -153.12 -49.69 0.1 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.453 -0.78 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.441 ' C ' HG13 ' A' ' 36' ' ' VAL . 9.2 m 54.79 174.56 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.42 -0.8 . . . . 0.0 110.753 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 36' ' ' VAL . 34.7 m -147.92 120.61 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.734 -0.604 . . . . 0.0 110.53 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -90.53 51.49 2.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.554 -0.716 . . . . 0.0 109.818 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 56.94 -84.9 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.81 -0.556 . . . . 0.0 110.892 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.63 -23.46 2.61 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.787 -1.196 . . . . 0.0 112.041 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -77.77 -18.1 56.8 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.439 -0.904 . . . . 0.0 109.786 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -120.28 -43.51 2.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.486 -0.759 . . . . 0.0 109.636 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.7 p -56.77 -22.8 38.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.835 -0.541 . . . . 0.0 109.966 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -71.74 -31.11 66.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.575 -0.703 . . . . 0.0 110.0 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.58 -37.67 20.88 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.567 -0.708 . . . . 0.0 110.196 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.4 m -60.93 -32.63 72.13 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.519 -0.738 . . . . 0.0 110.078 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -64.07 -36.73 84.98 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.476 -0.765 . . . . 0.0 109.851 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.79 -28.77 69.79 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.542 -0.724 . . . . 0.0 109.958 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -91.16 -38.81 12.49 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.584 -0.698 . . . . 0.0 110.074 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.417 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 60.4 t-105 -62.44 -53.24 57.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.586 -0.697 . . . . 0.0 110.126 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -62.81 -26.15 68.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.554 -0.716 . . . . 0.0 110.553 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.3 p -92.79 -17.66 23.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.516 -0.74 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.3 mmm -56.1 152.67 10.21 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.31 -0.868 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 t -80.11 163.67 23.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.583 -0.698 . . . . 0.0 110.36 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.67 -26.27 66.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.596 -0.69 . . . . 0.0 110.294 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -69.28 -31.16 69.49 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.482 -0.761 . . . . 0.0 109.729 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -92.63 -38.41 11.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.681 -0.637 . . . . 0.0 109.887 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 19.3 mtmt -67.44 -22.39 65.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.644 -0.66 . . . . 0.0 110.271 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.2 p -70.37 -30.38 67.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.448 -0.783 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -62.28 -29.03 70.14 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.626 -0.671 . . . . 0.0 110.204 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -89.53 -28.76 19.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.636 -0.665 . . . . 0.0 110.194 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -76.78 -28.94 55.85 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.639 -0.663 . . . . 0.0 110.239 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -70.68 -31.63 68.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.571 -0.706 . . . . 0.0 110.084 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -29.08 32.08 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.617 -0.677 . . . . 0.0 110.05 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.95 -29.38 43.94 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.649 -0.657 . . . . 0.0 110.198 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -78.14 -28.84 48.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.595 -0.691 . . . . 0.0 110.156 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.7 t -72.2 -30.98 65.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.662 -0.649 . . . . 0.0 110.114 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -83.07 -29.58 28.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.619 -0.675 . . . . 0.0 110.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -68.29 -30.08 69.0 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.647 -0.658 . . . . 0.0 110.136 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.26 -28.77 23.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.601 -0.687 . . . . 0.0 110.224 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -74.58 -28.65 61.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.524 -0.735 . . . . 0.0 110.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.1 t80 . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.572 -0.705 . . . . 0.0 110.191 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 121.021 0.439 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.6 mtt -134.64 -162.61 1.27 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.54 -0.725 . . . . 0.0 109.803 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -139.94 179.34 6.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.535 -0.728 . . . . 0.0 110.1 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.3 p -59.72 -29.51 68.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.53 -0.732 . . . . 0.0 110.418 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -70.71 -30.47 67.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.595 -0.691 . . . . 0.0 110.2 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.56 -37.8 27.15 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.578 -0.702 . . . . 0.0 110.157 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -65.08 -29.23 70.08 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.656 -0.653 . . . . 0.0 110.143 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 49' ' ' TRP . 32.3 t80 -61.38 -51.49 68.58 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.628 -0.67 . . . . 0.0 110.139 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.73 -29.64 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.579 -0.7 . . . . 0.0 109.907 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -70.03 -36.06 74.79 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.603 -0.686 . . . . 0.0 110.101 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -84.47 -29.43 26.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.567 -0.708 . . . . 0.0 110.055 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.6 m -78.89 -29.66 44.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.618 -0.676 . . . . 0.0 110.174 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -41.26 69.45 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.527 -0.733 . . . . 0.0 109.982 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -63.74 -33.27 75.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.58 -0.7 . . . . 0.0 109.828 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.21 -12.36 59.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.663 -0.648 . . . . 0.0 110.833 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.497 ' CD2' ' CD2' ' A' ' 31' ' ' HIS . 14.3 t60 -90.63 17.29 7.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.267 -0.895 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -111.97 22.76 14.52 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.245 -0.909 . . . . 0.0 110.586 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -114.62 -30.83 6.38 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.374 -0.829 . . . . 0.0 110.152 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 1.5 ptmm? -126.73 31.15 5.37 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.625 -0.672 . . . . 0.0 110.423 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CD2' ' CD2' ' A' ' 27' ' ' HIS . 81.9 m-70 -145.61 80.12 10.9 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.595 -0.691 . . . . 0.0 110.253 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.8 -50.8 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.04 0 O-C-N 123.405 1.213 . . . . 0.0 110.372 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.13 58.53 1.18 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.577 -0.702 . . . . 0.0 110.061 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.5 t -111.03 -22.33 11.53 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.568 -0.707 . . . . 0.0 110.605 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m 54.97 98.0 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.259 -0.901 . . . . 0.0 110.514 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.7 p -107.53 77.63 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.606 -0.684 . . . . 0.0 110.444 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -59.36 -173.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.399 -0.813 . . . . 0.0 109.829 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -76.08 -47.66 23.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.384 -0.822 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.58 74.97 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.312 -0.868 . . . . 0.0 110.679 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.61 -16.93 59.04 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.225 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -115.5 -46.04 2.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.324 -0.86 . . . . 0.0 110.63 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.1 p -56.54 -23.35 39.42 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.524 -0.735 . . . . 0.0 110.203 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -68.09 -29.77 68.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.554 -0.716 . . . . 0.0 109.762 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -92.08 -45.86 8.08 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.567 -0.708 . . . . 0.0 110.177 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 72.6 m -61.38 -29.42 69.91 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.549 -0.719 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.4 p -72.64 -33.51 66.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.565 -0.709 . . . . 0.0 109.796 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -72.68 -31.03 64.73 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.606 -0.684 . . . . 0.0 109.738 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -89.81 -38.78 13.53 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.722 -0.611 . . . . 0.0 109.863 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.43 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 61.6 t-105 -61.36 -48.62 80.47 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.586 -0.696 . . . . 0.0 109.849 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -65.77 -26.4 67.7 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.67 -0.644 . . . . 0.0 110.432 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.1 p -101.04 -0.6 36.1 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.478 -0.764 . . . . 0.0 111.054 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.43 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 2.1 mmm -61.72 163.1 7.69 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.207 -0.933 . . . . 0.0 110.167 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -88.45 166.74 14.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.626 -0.671 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.26 -19.93 65.58 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.633 -0.667 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -74.16 -30.4 62.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.311 -0.868 . . . . 0.0 109.905 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 18.0 mt-10 -95.94 -34.54 11.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.642 -0.661 . . . . 0.0 109.996 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -74.05 -25.15 59.68 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.629 -0.67 . . . . 0.0 110.29 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.3 p -71.47 -29.38 64.77 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.482 -0.761 . . . . 0.0 110.238 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -62.93 -29.01 70.46 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.547 -0.72 . . . . 0.0 110.178 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -94.79 -28.89 15.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.594 -0.691 . . . . 0.0 110.202 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.56 -29.03 65.37 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.534 -0.729 . . . . 0.0 110.184 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.46 -28.14 23.66 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.581 -0.7 . . . . 0.0 110.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.6 mtp -78.03 -28.57 49.06 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.598 -0.688 . . . . 0.0 110.176 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.14 22.97 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.571 -0.705 . . . . 0.0 110.176 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -68.83 -29.66 68.04 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.559 -0.713 . . . . 0.0 110.156 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.5 t -63.94 -36.3 83.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.556 -0.715 . . . . 0.0 110.14 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.1 -28.69 21.14 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.584 -0.698 . . . . 0.0 110.273 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -60.39 -28.25 68.08 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.567 -0.708 . . . . 0.0 110.381 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.07 -29.09 60.58 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.557 -0.715 . . . . 0.0 110.242 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -61.58 -26.48 67.99 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.567 -0.708 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 N--CA 1.499 1.98 0 O-C-N 121.521 -0.737 . . . . 0.0 110.33 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttt . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.054 0.454 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.42 99.76 6.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.665 -0.647 . . . . 0.0 110.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.508 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 18.4 t -81.11 -176.82 6.16 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.678 -0.639 . . . . 0.0 110.134 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.4 p -70.02 -28.75 65.75 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.587 -0.695 . . . . 0.0 110.156 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -67.33 -29.32 68.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.607 -0.683 . . . . 0.0 110.073 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.6 -36.18 52.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.521 -0.737 . . . . 0.0 110.037 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -73.82 -29.22 62.03 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.58 -0.7 . . . . 0.0 110.084 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -62.45 -52.74 62.32 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.605 -0.684 . . . . 0.0 110.143 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.51 -29.59 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.607 -0.683 . . . . 0.0 109.802 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -68.5 -32.87 73.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.544 -0.722 . . . . 0.0 110.082 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.6 m -85.85 -29.41 23.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.61 -0.681 . . . . 0.0 110.129 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 m -84.97 -28.03 26.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.592 -0.692 . . . . 0.0 110.238 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -43.12 48.39 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.528 -0.733 . . . . 0.0 110.106 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.58 -28.19 65.33 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.474 -0.766 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -87.16 -26.83 23.39 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.537 -0.727 . . . . 0.0 110.155 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.406 ' CD2' HG21 ' A' ' 36' ' ' VAL . 13.1 t60 -69.16 -10.21 56.6 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.519 -0.738 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -91.87 20.62 5.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.124 -0.985 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -117.41 -17.01 10.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.359 -0.838 . . . . 0.0 110.824 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -139.5 26.23 2.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.253 -0.905 . . . . 0.0 110.631 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 85.2 m-70 -145.97 72.63 13.57 Favored Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.555 -0.715 . . . . 0.0 110.245 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.91 -50.74 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.062 0 O-C-N 123.351 1.185 . . . . 0.0 110.435 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.7 48.93 0.93 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.587 -0.695 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 t -113.47 -28.75 7.42 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.545 -0.722 . . . . 0.0 110.231 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 m 52.82 96.03 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.406 -0.809 . . . . 0.0 110.73 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 41' ' ' PHE . 75.5 t -92.08 100.34 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.639 -0.663 . . . . 0.0 110.262 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -94.46 46.85 1.16 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.568 -0.708 . . . . 0.0 109.608 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 60.13 -78.59 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.945 -0.472 . . . . 0.0 111.007 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.47 -27.78 7.16 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.996 -1.065 . . . . 0.0 111.776 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -73.53 -18.2 61.12 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.811 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB2' HG13 ' A' ' 36' ' ' VAL . 40.9 t80 -117.93 -44.63 2.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.463 -0.773 . . . . 0.0 109.963 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 p -55.53 -23.8 28.47 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.675 -0.641 . . . . 0.0 110.002 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -68.45 -30.11 68.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.654 -0.654 . . . . 0.0 109.752 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -86.8 -42.51 13.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.652 -0.655 . . . . 0.0 110.157 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 66.1 m -60.93 -28.41 68.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.584 -0.698 . . . . 0.0 110.128 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.5 p -72.06 -30.21 64.92 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.542 -0.724 . . . . 0.0 109.94 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.06 -30.27 63.59 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.63 -0.669 . . . . 0.0 109.837 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -90.85 -37.18 13.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.566 -0.709 . . . . 0.0 109.905 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -64.96 -37.44 87.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.626 -0.671 . . . . 0.0 110.024 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -79.92 -24.73 40.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.582 -0.698 . . . . 0.0 110.616 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.6 p -94.39 -21.98 18.6 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.437 -0.79 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.0 mtp -57.7 165.88 1.54 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.307 -0.871 . . . . 0.0 110.386 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -104.3 -168.68 1.52 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.6 -0.688 . . . . 0.0 110.365 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.87 -8.51 57.48 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.553 -0.717 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -74.66 -30.74 61.7 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.259 -0.901 . . . . 0.0 109.794 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -102.18 -37.42 8.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.703 -0.623 . . . . 0.0 109.926 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -67.81 -26.57 66.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.708 -0.62 . . . . 0.0 110.241 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 p -64.61 -32.19 73.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.508 -0.745 . . . . 0.0 110.273 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -68.87 -29.22 67.47 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.526 -0.734 . . . . 0.0 110.163 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -93.91 -28.8 15.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.57 -0.706 . . . . 0.0 110.185 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.71 -28.76 62.86 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.555 -0.716 . . . . 0.0 110.169 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.06 -28.72 48.92 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.494 -0.754 . . . . 0.0 110.146 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.2 mmt -81.14 -28.94 34.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.614 -0.679 . . . . 0.0 110.163 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -74.48 -41.37 60.85 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.589 -0.695 . . . . 0.0 110.115 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -65.15 -30.55 71.48 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.575 -0.703 . . . . 0.0 110.065 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -63.23 -37.49 87.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.646 -0.659 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -87.04 -32.44 19.99 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.589 -0.694 . . . . 0.0 110.089 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -65.29 -29.15 69.88 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.632 -0.667 . . . . 0.0 110.088 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.86 -25.53 35.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.687 -0.633 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -98.21 24.46 7.15 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.516 -0.74 . . . . 0.0 110.594 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 O-C-N 121.399 -0.813 . . . . 0.0 110.245 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.092 0.473 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.452 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 24.0 ttm -161.11 123.46 3.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.651 -0.655 . . . . 0.0 110.166 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 t -82.35 -179.84 7.55 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.617 -0.677 . . . . 0.0 110.242 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.5 p -69.07 -28.73 66.79 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.568 -0.707 . . . . 0.0 110.177 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -70.78 -29.15 65.28 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.616 -0.677 . . . . 0.0 110.184 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' HB3' ' HG2' ' A' ' 13' ' ' MET . . . -77.53 -30.28 52.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.491 -0.756 . . . . 0.0 110.045 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -76.99 -29.41 55.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.536 -0.727 . . . . 0.0 110.088 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -62.17 -56.69 16.21 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.576 -0.703 . . . . 0.0 109.949 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.34 -31.39 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.594 -0.691 . . . . 0.0 109.629 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.14 -51.29 39.87 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.579 -0.701 . . . . 0.0 109.832 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 m -69.88 -30.69 68.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.61 -0.681 . . . . 0.0 109.685 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -73.38 -28.65 62.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.622 -0.674 . . . . 0.0 109.917 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -69.18 -42.74 75.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.511 -0.743 . . . . 0.0 109.682 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -62.87 -46.8 86.17 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.625 -0.672 . . . . 0.0 109.643 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -62.74 -25.02 67.98 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.721 -0.612 . . . . 0.0 110.027 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.528 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 56.2 t60 -95.23 36.3 1.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.514 -0.741 . . . . 0.0 110.113 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -130.12 25.01 5.24 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.135 -0.978 . . . . 0.0 110.885 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -108.39 -60.29 1.75 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.392 -0.817 . . . . 0.0 110.1 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.54 62.07 0.61 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.589 -0.694 . . . . 0.0 110.024 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 13.6 m80 -144.95 54.2 2.4 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 121.368 -0.833 . . . . 0.0 109.782 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.1 Cg_endo -72.36 -49.42 0.28 Allowed 'Trans proline' 0 C--N 1.318 -1.031 0 O-C-N 123.372 1.196 . . . . 0.0 110.431 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -101.89 40.39 1.33 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.597 -0.689 . . . . 0.0 110.236 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -132.14 126.69 34.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.596 -0.69 . . . . 0.0 110.214 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -91.04 145.3 24.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.564 -0.71 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.1 p -144.18 63.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.61 -0.681 . . . . 0.0 110.312 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -58.75 175.02 0.29 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.486 -0.759 . . . . 0.0 109.856 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -63.93 -43.45 95.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.279 -0.888 . . . . 0.0 110.357 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.07 -42.36 72.88 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.23 -0.919 . . . . 0.0 110.659 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.02 -15.5 59.55 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.164 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -113.09 -42.85 3.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 110.805 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.5 p -57.68 -21.69 41.65 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.55 -0.719 . . . . 0.0 110.033 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -88.54 -27.98 21.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.527 -0.733 . . . . 0.0 110.341 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.03 -36.83 21.0 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.527 -0.733 . . . . 0.0 110.841 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.1 p -59.45 -31.53 69.39 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.318 -0.864 . . . . 0.0 110.264 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.6 p -61.28 -36.12 79.18 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.602 -0.687 . . . . 0.0 110.192 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -62.06 -29.36 70.24 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.66 -0.65 . . . . 0.0 110.134 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -94.32 -38.58 10.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.682 -0.636 . . . . 0.0 110.119 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -63.08 -44.29 96.14 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.571 -0.706 . . . . 0.0 110.147 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -66.94 -28.41 68.26 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.666 -0.646 . . . . 0.0 110.21 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.9 p -85.76 -24.21 26.97 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.606 -0.684 . . . . 0.0 110.492 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.6 mmm -58.19 152.65 16.62 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.388 -0.82 . . . . 0.0 110.455 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.1 m -102.97 -176.13 3.0 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.619 -0.675 . . . . 0.0 110.274 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.57 -21.82 62.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.665 -0.647 . . . . 0.0 110.675 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -69.55 -29.98 67.68 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.394 -0.816 . . . . 0.0 109.933 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -99.94 -41.83 7.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.586 -0.697 . . . . 0.0 110.023 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -60.22 -23.86 64.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.663 -0.648 . . . . 0.0 110.384 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -63.6 -31.55 72.76 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.441 -0.787 . . . . 0.0 110.278 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -69.15 -30.39 68.62 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.57 -0.706 . . . . 0.0 110.185 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -88.55 -28.79 20.51 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.571 -0.706 . . . . 0.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -79.17 -28.91 42.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.617 -0.677 . . . . 0.0 110.149 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -76.23 -29.14 57.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.623 -0.673 . . . . 0.0 110.147 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.9 mmt -81.63 -29.78 33.08 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.601 -0.687 . . . . 0.0 110.144 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 13' ' ' MET . . . -81.09 -29.4 34.91 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.642 -0.661 . . . . 0.0 110.154 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -72.9 -30.0 63.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.622 -0.674 . . . . 0.0 110.135 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -63.89 -37.78 88.65 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.606 -0.684 . . . . 0.0 110.054 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.3 -29.29 21.71 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.626 -0.672 . . . . 0.0 110.127 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.73 -30.11 65.26 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.666 -0.646 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.84 -29.09 22.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.66 -0.65 . . . . 0.0 110.246 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -63.17 -31.05 72.1 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.499 -0.751 . . . . 0.0 110.109 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 . . . . . 0 N--CA 1.496 1.864 0 O-C-N 121.53 -0.732 . . . . 0.0 110.083 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 121.07 0.462 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 61.6 mtt -103.01 -168.52 1.53 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.592 -0.692 . . . . 0.0 110.167 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.0 t -162.87 178.84 8.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.622 -0.674 . . . . 0.0 110.225 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -63.03 -29.07 70.53 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.545 -0.722 . . . . 0.0 110.227 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -76.51 -30.6 57.25 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.98 -29.37 39.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.709 . . . . 0.0 110.14 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -81.0 -29.25 35.22 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.576 -0.702 . . . . 0.0 110.121 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -62.19 -47.31 85.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.621 -0.674 . . . . 0.0 109.943 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.47 -35.03 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.585 -0.697 . . . . 0.0 109.803 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.2 -58.61 5.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.518 -0.739 . . . . 0.0 109.969 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.6 m -63.14 -29.61 70.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.516 -0.74 . . . . 0.0 109.996 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 m -75.87 -29.87 58.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.615 -0.678 . . . . 0.0 110.101 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -78.25 -35.53 48.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.574 -0.704 . . . . 0.0 110.054 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.85 -50.18 73.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.602 -0.687 . . . . 0.0 109.893 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.48 -27.15 68.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.688 -0.633 . . . . 0.0 110.11 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -68.49 -28.95 67.47 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.473 -0.767 . . . . 0.0 110.089 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -80.66 60.22 3.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.587 -0.696 . . . . 0.0 110.156 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -152.88 -44.65 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.61 -0.681 . . . . 0.0 110.038 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 13.6 ptpt -119.83 31.66 6.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.679 -0.638 . . . . 0.0 110.246 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 84.3 m-70 -146.08 60.17 6.14 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.682 -0.636 . . . . 0.0 110.021 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.81 -48.1 0.31 Allowed 'Trans proline' 0 C--N 1.317 -1.08 0 O-C-N 123.298 1.157 . . . . 0.0 110.538 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -94.75 59.85 2.44 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.566 -0.708 . . . . 0.0 110.244 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -152.27 -158.83 0.94 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.552 -0.717 . . . . 0.0 110.235 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 m -154.53 161.28 41.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.616 -0.678 . . . . 0.0 110.017 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.3 p -158.37 68.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.574 -0.704 . . . . 0.0 110.439 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -60.43 176.18 0.38 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.49 -0.756 . . . . 0.0 109.618 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -66.78 -42.43 86.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.275 -0.891 . . . . 0.0 110.335 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.38 -43.42 70.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.256 -0.903 . . . . 0.0 110.726 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.02 -16.29 59.32 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.178 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -112.06 -43.7 3.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.259 -0.9 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -55.8 -23.22 28.81 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.433 -0.792 . . . . 0.0 109.984 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -86.61 -26.74 24.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.485 -0.759 . . . . 0.0 110.186 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -84.4 -40.68 17.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.484 -0.76 . . . . 0.0 110.759 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.3 p -57.98 -30.29 65.92 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.4 -0.813 . . . . 0.0 110.318 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.0 p -70.97 -36.31 72.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.691 -0.631 . . . . 0.0 109.932 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.16 -25.03 63.55 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.64 -0.662 . . . . 0.0 110.208 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -102.73 -31.48 10.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.513 -0.742 . . . . 0.0 110.046 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -71.86 -29.63 64.58 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.638 -0.664 . . . . 0.0 110.1 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -27.47 61.93 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.558 -0.714 . . . . 0.0 110.18 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 t -112.25 4.09 17.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.774 . . . . 0.0 111.165 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -168.68 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.203 -0.935 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 m -128.43 152.1 48.6 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.608 -0.683 . . . . 0.0 110.238 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.415 ' HA ' ' CG ' ' A' ' 57' ' ' LYS . . . -51.93 -26.12 9.68 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.608 -0.683 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -76.58 -29.77 56.75 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.538 -0.726 . . . . 0.0 110.078 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -81.01 -28.73 35.34 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.607 -0.683 . . . . 0.0 110.19 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 13.6 ptmt -97.36 4.18 50.81 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.625 -0.672 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.1 p -65.85 -29.09 69.49 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.125 -0.984 . . . . 0.0 110.062 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -78.27 -29.61 48.09 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.544 -0.722 . . . . 0.0 110.096 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -85.25 -30.48 23.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.579 -0.7 . . . . 0.0 110.126 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.83 -29.25 65.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.636 -0.665 . . . . 0.0 110.124 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.4 -28.56 26.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.613 -0.679 . . . . 0.0 110.227 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.2 mmm -77.57 -28.73 51.81 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.582 -0.699 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.8 -28.99 40.17 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.542 -0.724 . . . . 0.0 110.22 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -81.13 -28.63 35.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.532 -0.73 . . . . 0.0 110.247 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.1 t -74.49 -29.89 61.6 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.587 -0.696 . . . . 0.0 110.127 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.8 -31.5 23.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.613 -0.68 . . . . 0.0 110.19 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.15 -28.64 68.94 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.606 -0.684 . . . . 0.0 110.212 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.44 -29.27 66.94 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.609 -0.682 . . . . 0.0 110.221 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 ttt85 -65.91 -30.74 71.38 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.541 -0.724 . . . . 0.0 110.126 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.7 t80 . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.606 -0.684 . . . . 0.0 110.365 179.946 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.139 0.495 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.1 mtt -153.21 118.76 5.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.57 -0.706 . . . . 0.0 110.158 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -78.44 179.93 6.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.562 -0.711 . . . . 0.0 110.057 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p -70.29 -28.47 65.22 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.689 -0.632 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -73.51 -32.2 64.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.537 -0.727 . . . . 0.0 110.128 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.9 -46.65 64.96 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.596 -0.69 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.47 -29.16 70.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.636 -0.665 . . . . 0.0 110.098 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.67 -61.35 2.57 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.575 -0.703 . . . . 0.0 110.07 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.0 -29.94 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.55 -0.719 . . . . 0.0 109.744 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -68.43 -50.28 53.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.647 -0.658 . . . . 0.0 110.016 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.0 m -66.56 -29.17 69.19 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.579 -0.701 . . . . 0.0 110.023 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -80.66 -21.18 41.62 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.599 -0.688 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -45.05 65.52 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.402 -0.811 . . . . 0.0 109.684 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -65.93 -43.84 86.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.753 -0.592 . . . . 0.0 109.821 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.44 -26.11 67.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.655 -0.653 . . . . 0.0 110.041 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.517 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 41.2 t60 -96.48 38.88 1.18 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.549 -0.72 . . . . 0.0 110.068 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.3 tttt -124.24 33.56 5.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.386 -0.821 . . . . 0.0 110.649 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.61 -60.42 1.85 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.808 . . . . 0.0 110.214 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.15 64.89 0.64 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.564 -0.71 . . . . 0.0 110.202 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.517 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 16.6 m80 -145.38 60.56 6.95 Favored Pre-proline 0 N--CA 1.501 2.086 0 O-C-N 121.287 -0.883 . . . . 0.0 109.916 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.5 -50.12 0.25 Allowed 'Trans proline' 0 C--N 1.317 -1.131 0 O-C-N 123.248 1.131 . . . . 0.0 110.369 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -122.47 48.32 1.78 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.556 -0.715 . . . . 0.0 110.194 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 t -95.02 -20.58 19.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.676 -0.64 . . . . 0.0 110.734 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 p 52.26 42.17 30.72 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.371 -0.831 . . . . 0.0 110.805 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -71.89 69.2 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.58 -0.7 . . . . 0.0 110.349 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -58.88 -177.9 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.385 -0.822 . . . . 0.0 109.763 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -67.36 -42.74 82.96 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.22 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.509 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -71.5 -41.86 68.74 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.182 -0.949 . . . . 0.0 110.535 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -15.82 58.95 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.021 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' HB2' HG22 ' A' ' 36' ' ' VAL . 23.9 t80 -113.38 -45.82 3.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 110.893 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.509 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 84.9 p -56.41 -24.0 42.07 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.533 -0.729 . . . . 0.0 110.216 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -76.22 -30.0 57.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.641 -0.662 . . . . 0.0 109.733 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -85.13 -43.11 14.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.575 -0.703 . . . . 0.0 110.196 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 50.8 m -61.31 -29.78 70.09 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.538 -0.726 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -69.98 -34.44 73.36 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.574 -0.704 . . . . 0.0 109.809 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.5 -28.55 69.92 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.624 -0.672 . . . . 0.0 110.017 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -93.05 -40.43 10.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.592 -0.692 . . . . 0.0 109.952 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -61.93 -45.36 94.03 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.589 -0.694 . . . . 0.0 109.817 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -67.23 -27.27 67.09 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.565 -0.709 . . . . 0.0 110.388 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -103.48 3.27 34.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.522 -0.736 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.0 mmm -69.03 141.6 54.79 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.126 -0.984 . . . . 0.0 110.166 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.0 m -66.65 153.21 43.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.537 -0.727 . . . . 0.0 110.266 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.93 67.95 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.652 -0.655 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -73.67 -28.37 61.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.582 -0.699 . . . . 0.0 110.161 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.47 -52.4 7.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.591 -0.693 . . . . 0.0 110.148 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -62.1 -18.69 61.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.563 -0.71 . . . . 0.0 110.815 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.8 p -55.79 -27.14 49.59 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.233 -0.917 . . . . 0.0 110.628 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -75.7 -29.45 58.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.567 -0.708 . . . . 0.0 110.081 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -85.08 -29.48 24.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.587 -0.696 . . . . 0.0 110.092 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -76.68 -29.57 56.38 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.626 -0.671 . . . . 0.0 110.137 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.26 -29.15 42.47 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.556 -0.715 . . . . 0.0 110.118 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.5 mtp -78.96 -30.2 44.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.601 -0.687 . . . . 0.0 110.096 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.8 46.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.648 -0.657 . . . . 0.0 110.1 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -73.25 -29.8 63.02 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 110.104 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.1 t -62.91 -35.83 81.35 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.576 -0.702 . . . . 0.0 110.048 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.1 -30.94 23.62 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.615 -0.678 . . . . 0.0 110.09 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -70.32 -33.57 71.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.569 -0.707 . . . . 0.0 110.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.3 -29.53 28.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.587 -0.696 . . . . 0.0 110.181 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -69.47 -28.54 66.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.52 -0.738 . . . . 0.0 110.182 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 26.7 t80 . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.591 -0.693 . . . . 0.0 110.157 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.071 0.462 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttm -160.85 -162.76 0.96 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.586 -0.697 . . . . 0.0 110.139 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 t -146.25 178.34 8.32 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.579 -0.7 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -70.45 -28.57 65.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.52 -0.738 . . . . 0.0 110.164 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -69.72 -28.4 65.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.555 -0.716 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.9 -31.42 56.72 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.552 -0.717 . . . . 0.0 110.113 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -82.74 -28.83 30.18 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.543 -0.723 . . . . 0.0 110.246 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -66.26 -38.63 88.29 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 0.0 110.141 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.9 t -80.27 -33.15 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.528 -0.733 . . . . 0.0 109.951 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -69.5 -29.14 66.71 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.551 -0.718 . . . . 0.0 110.198 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.8 m -84.26 -29.38 26.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.587 -0.696 . . . . 0.0 110.224 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 m -89.71 -29.37 18.79 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.605 -0.684 . . . . 0.0 110.188 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.83 -37.65 58.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.524 -0.735 . . . . 0.0 110.059 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -66.34 -33.62 76.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.603 -0.686 . . . . 0.0 110.06 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -88.96 -0.07 57.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.49 -0.757 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -86.4 -53.32 5.07 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.187 -0.946 . . . . 0.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -58.62 -28.3 65.51 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.601 -0.687 . . . . 0.0 110.467 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -62.49 -27.02 68.84 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.572 -0.705 . . . . 0.0 110.271 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 14.3 ptpt -128.54 16.88 6.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.487 -0.758 . . . . 0.0 111.137 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.435 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 59.5 m-70 -143.42 58.86 6.88 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.292 -0.88 . . . . 0.0 110.075 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.04 -30.33 10.93 Favored 'Trans proline' 0 C--N 1.316 -1.14 0 O-C-N 123.34 1.179 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -82.6 -44.96 15.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.595 -0.691 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 p -79.9 147.72 31.56 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.609 -0.682 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.9 t -92.17 -177.59 4.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.66 -0.65 . . . . 0.0 110.178 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.8 p -167.4 65.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.546 -0.721 . . . . 0.0 110.208 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -58.63 -174.34 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.495 -0.753 . . . . 0.0 109.594 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -72.62 -41.72 65.24 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.399 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.89 -44.13 70.36 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.208 -0.932 . . . . 0.0 110.944 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.95 -16.19 58.46 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.177 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -112.3 -43.39 3.53 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.889 . . . . 0.0 110.927 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.4 p -57.81 -21.39 41.89 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.533 -0.729 . . . . 0.0 110.077 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -87.87 -27.28 22.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.535 -0.728 . . . . 0.0 110.498 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -85.11 -38.23 19.33 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.56 -0.713 . . . . 0.0 110.745 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.9 p -59.72 -32.21 70.33 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.356 -0.84 . . . . 0.0 110.38 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -35.4 80.15 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.615 -0.678 . . . . 0.0 110.36 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.47 -30.12 70.4 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.457 -0.777 . . . . 0.0 109.986 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -94.63 -30.98 14.05 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.646 -0.659 . . . . 0.0 110.022 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -70.28 -47.07 62.85 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.684 -0.635 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -67.34 -27.27 66.99 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.568 -0.708 . . . . 0.0 110.31 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.5 p -85.59 -24.33 27.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.496 -0.752 . . . . 0.0 110.603 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.7 mmm -58.18 154.23 13.48 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.423 -0.798 . . . . 0.0 110.403 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.5 p -97.53 175.8 6.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.559 -0.713 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.12 -26.47 64.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.698 -0.626 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -68.83 -31.35 70.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.437 -0.789 . . . . 0.0 109.748 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -96.12 -42.28 8.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.651 -0.656 . . . . 0.0 109.78 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -61.23 -23.95 66.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.732 -0.605 . . . . 0.0 110.296 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.1 p -62.83 -30.78 71.75 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.47 -0.769 . . . . 0.0 110.207 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -61.98 -30.12 70.72 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.505 -0.747 . . . . 0.0 110.194 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -89.84 -28.9 18.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.621 -0.674 . . . . 0.0 110.188 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.89 -29.96 35.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.57 -0.706 . . . . 0.0 110.147 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -73.97 -28.75 61.64 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.599 -0.688 . . . . 0.0 110.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.2 mtm -83.92 -29.04 27.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.552 -0.717 . . . . 0.0 110.199 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.27 -38.09 43.5 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.61 -0.681 . . . . 0.0 110.145 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -66.15 -29.16 69.4 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.582 -0.699 . . . . 0.0 110.145 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 t -65.02 -53.76 40.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.5 -0.75 . . . . 0.0 110.153 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.88 -28.83 62.73 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.555 -0.715 . . . . 0.0 110.173 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -68.82 -28.63 66.92 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.527 -0.733 . . . . 0.0 110.228 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.74 -27.78 13.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.601 -0.687 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -60.51 -33.38 72.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.536 -0.728 . . . . 0.0 110.272 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.5 t80 . . . . . 0 N--CA 1.496 1.874 0 O-C-N 121.588 -0.695 . . . . 0.0 110.269 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.066 0.46 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.443 ' CB ' ' CE2' ' A' ' 18' ' ' PHE . 12.1 mtt -158.56 114.82 2.72 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.596 -0.69 . . . . 0.0 110.164 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -69.61 -178.98 1.58 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.583 -0.698 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.2 p -69.94 -29.1 66.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.542 -0.723 . . . . 0.0 110.161 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -75.81 -29.23 58.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.566 -0.708 . . . . 0.0 110.082 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.54 -30.53 52.83 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.601 -0.687 . . . . 0.0 110.03 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.443 ' CE2' ' CB ' ' A' ' 13' ' ' MET . 4.3 m-85 -76.89 -29.37 55.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.661 -0.649 . . . . 0.0 110.016 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.77 -54.5 38.11 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.541 -0.725 . . . . 0.0 110.139 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.2 -31.55 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.598 -0.689 . . . . 0.0 109.791 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -70.45 -47.83 58.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.709 . . . . 0.0 109.903 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.7 m -75.69 -29.62 59.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.521 -0.737 . . . . 0.0 110.006 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -72.44 -26.56 61.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.589 -0.694 . . . . 0.0 110.213 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -67.92 -46.49 71.39 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.573 -0.705 . . . . 0.0 109.576 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.32 -42.15 98.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.708 -0.62 . . . . 0.0 109.508 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.3 -24.15 67.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.72 -0.612 . . . . 0.0 109.919 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 46.1 t60 -96.1 37.6 1.23 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.502 -0.749 . . . . 0.0 109.964 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.0 tttt -127.33 40.5 3.69 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.25 -0.906 . . . . 0.0 110.535 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -125.86 -45.02 1.76 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.47 -0.769 . . . . 0.0 110.172 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.43 61.05 1.39 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.646 -0.659 . . . . 0.0 110.034 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.525 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 17.5 m80 -144.99 53.58 2.09 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.355 -0.841 . . . . 0.0 109.828 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.04 -50.67 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 O-C-N 123.326 1.172 . . . . 0.0 110.532 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -91.49 -28.53 17.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.632 -0.668 . . . . 0.0 110.226 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 m -79.66 124.33 28.46 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.61 -0.681 . . . . 0.0 110.238 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.6 m -88.29 -178.6 5.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.609 -0.682 . . . . 0.0 110.043 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.6 p -167.69 60.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.582 -0.699 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -58.19 -175.13 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.31 -0.869 . . . . 0.0 109.678 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' SER . 98.6 m-85 -64.65 -60.58 2.95 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.419 -0.8 . . . . 0.0 111.071 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.78 -55.2 24.65 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.381 -0.824 . . . . 0.0 112.297 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -52.9 -24.36 9.04 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.218 -0.926 . . . . 0.0 110.3 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -104.01 -14.54 15.9 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.626 -0.671 . . . . 0.0 110.758 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' PHE . 13.5 p -79.04 -26.71 43.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.354 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -86.37 -26.44 24.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.708 -0.62 . . . . 0.0 110.189 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -83.62 -42.71 16.42 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.546 -0.722 . . . . 0.0 110.703 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -58.25 -33.05 68.94 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.39 -0.819 . . . . 0.0 110.505 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.7 p -65.11 -37.05 86.21 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.68 -0.638 . . . . 0.0 110.014 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -62.87 -32.12 73.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.63 -0.668 . . . . 0.0 109.981 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.28 -42.02 12.53 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.607 -0.683 . . . . 0.0 109.996 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -63.43 -32.84 74.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.595 -0.691 . . . . 0.0 110.026 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -77.29 -29.1 53.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.566 -0.709 . . . . 0.0 110.145 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -92.11 -17.63 24.69 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.592 -0.692 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.4 mmm -56.22 164.4 1.31 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.298 -0.876 . . . . 0.0 110.529 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -107.24 175.24 5.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.632 -0.668 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.91 -24.77 65.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.564 -0.71 . . . . 0.0 110.551 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -68.57 -30.57 69.36 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.379 -0.826 . . . . 0.0 109.901 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -96.22 -44.92 7.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.683 -0.635 . . . . 0.0 109.948 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -61.56 -23.24 65.84 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.693 -0.629 . . . . 0.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 p -67.51 -31.57 71.79 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.416 -0.803 . . . . 0.0 110.292 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.69 -29.11 69.61 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.465 -0.772 . . . . 0.0 110.184 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -86.74 -29.38 22.41 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.67 -0.644 . . . . 0.0 110.301 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -67.84 -29.41 68.54 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.615 -0.678 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.81 -28.28 44.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.572 -0.705 . . . . 0.0 110.284 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.5 mtt -70.05 -30.76 68.12 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.513 -0.742 . . . . 0.0 110.243 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.33 22.26 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.667 -0.646 . . . . 0.0 110.153 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -28.48 69.2 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.547 -0.72 . . . . 0.0 110.232 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 t -61.41 -46.72 88.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 0.0 110.186 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.97 -29.88 39.64 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.57 -0.706 . . . . 0.0 110.153 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -62.3 -28.84 70.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.582 -0.698 . . . . 0.0 110.148 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.83 -28.88 20.11 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.586 -0.696 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -78.9 -28.67 44.02 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.61 -0.681 . . . . 0.0 110.212 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.9 t80 . . . . . 0 N--CA 1.496 1.849 0 O-C-N 121.567 -0.708 . . . . 0.0 110.205 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 121.056 0.455 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -131.95 118.23 19.5 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.605 -0.684 . . . . 0.0 110.179 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.483 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 6.3 t -91.07 179.09 5.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.563 -0.711 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.1 p -69.06 -27.62 65.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.606 -0.684 . . . . 0.0 110.333 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -60.48 -28.35 68.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 110.229 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -29.42 51.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 110.169 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -82.63 -28.92 30.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.642 -0.661 . . . . 0.0 110.169 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 52.9 t80 -66.35 -56.14 12.56 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.28 -28.85 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.531 -0.731 . . . . 0.0 109.852 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -71.55 -47.69 53.37 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.606 -0.684 . . . . 0.0 110.149 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -65.27 -29.43 70.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.609 -0.682 . . . . 0.0 110.186 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.6 m -84.35 -27.99 27.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.532 -0.73 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.33 -39.05 65.55 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.608 -0.682 . . . . 0.0 110.125 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -61.94 -54.6 39.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.65 -0.656 . . . . 0.0 110.067 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.75 -28.77 68.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.605 -0.684 . . . . 0.0 110.198 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 38.5 t60 -69.5 -35.3 75.4 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.661 -0.649 . . . . 0.0 110.138 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -63.82 -58.67 6.1 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.608 -0.683 . . . . 0.0 110.39 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -58.68 -24.97 62.34 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.484 -0.76 . . . . 0.0 110.514 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HG2' ' NE2' ' A' ' 31' ' ' HIS . 1.4 tttm -91.81 -21.29 20.74 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.575 -0.703 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.472 ' NE2' ' HG2' ' A' ' 30' ' ' LYS . 91.3 m-70 -131.52 85.79 51.52 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 121.284 -0.885 . . . . 0.0 110.043 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.95 -29.4 10.22 Favored 'Trans proline' 0 C--N 1.317 -1.111 0 O-C-N 123.484 1.255 . . . . 0.0 110.789 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -124.0 73.08 1.2 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.483 -0.761 . . . . 0.0 110.492 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -160.32 134.79 7.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.562 -0.711 . . . . 0.0 110.125 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.8 p -81.75 131.95 35.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.58 -0.7 . . . . 0.0 110.022 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.1 p -144.07 66.8 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.642 -0.661 . . . . 0.0 110.43 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -59.98 -167.67 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.365 -0.834 . . . . 0.0 109.586 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -71.0 -41.08 71.42 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.886 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.423 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -72.18 -44.01 63.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.109 -0.995 . . . . 0.0 110.999 -179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.89 -16.65 52.33 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.081 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.484 ' HB2' HG22 ' A' ' 36' ' ' VAL . 19.8 t80 -112.57 -48.11 3.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.372 -0.83 . . . . 0.0 111.257 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.423 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 80.9 p -55.81 -24.08 33.95 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.336 -0.852 . . . . 0.0 110.392 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.75 -28.74 67.07 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.596 -0.69 . . . . 0.0 109.9 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -91.28 -46.39 8.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.534 -0.729 . . . . 0.0 110.3 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 68.9 m -61.17 -28.87 69.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.498 -0.751 . . . . 0.0 110.144 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 p -64.58 -40.53 95.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.55 -0.719 . . . . 0.0 110.004 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.42 -28.82 70.24 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.611 -0.681 . . . . 0.0 110.162 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -88.83 -43.82 10.94 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.526 -0.734 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.428 ' CH2' ' HB2' ' A' ' 57' ' ' LYS . 60.2 t-105 -61.07 -49.69 76.3 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.561 -0.712 . . . . 0.0 110.316 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -63.27 -26.11 68.63 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.609 -0.682 . . . . 0.0 110.523 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.5 p -89.72 -26.06 20.85 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.56 -0.713 . . . . 0.0 110.56 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.3 mmm -59.67 130.29 46.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.476 -0.765 . . . . 0.0 110.345 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.5 m -79.62 157.92 27.19 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.557 -0.714 . . . . 0.0 110.03 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.39 -26.67 8.23 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.489 -0.757 . . . . 0.0 110.908 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -73.34 -27.22 61.39 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.607 -0.683 . . . . 0.0 110.013 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -90.14 -35.54 15.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.51 -0.743 . . . . 0.0 110.221 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 51.3 pttt -95.63 28.68 2.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.521 -0.737 . . . . 0.0 110.543 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.4 p -79.79 -29.48 40.38 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.492 -0.755 . . . . 0.0 110.227 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -73.31 -29.51 62.75 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.524 -0.735 . . . . 0.0 110.115 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -81.59 -31.42 32.56 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.56 -0.713 . . . . 0.0 110.122 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -77.27 -28.63 53.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.621 -0.674 . . . . 0.0 110.239 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -78.7 -28.84 45.19 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.642 -0.661 . . . . 0.0 110.16 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.6 mmt -79.94 -29.67 39.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.637 -0.664 . . . . 0.0 110.158 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -77.27 -36.52 54.24 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.555 -0.716 . . . . 0.0 110.125 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -66.76 -28.97 68.83 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 t -61.28 -39.63 91.11 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.612 -0.68 . . . . 0.0 110.162 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.53 -28.63 20.65 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.634 -0.666 . . . . 0.0 110.199 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -66.72 -32.43 73.74 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.475 -0.766 . . . . 0.0 110.201 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.69 -28.99 36.55 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.518 -0.739 . . . . 0.0 110.153 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -63.12 -28.67 70.23 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.546 -0.722 . . . . 0.0 110.182 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.2 t80 . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.605 -0.684 . . . . 0.0 110.289 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.041 0.448 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.4 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 7.4 mmt -131.04 178.28 6.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.625 -0.672 . . . . 0.0 110.216 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -154.86 44.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.592 -0.693 . . . . 0.0 110.229 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p 67.23 -60.58 0.37 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.682 -0.636 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -60.67 -28.25 68.45 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.173 -0.955 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -29.42 61.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.465 -0.772 . . . . 0.0 110.179 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.4 ' CE2' ' HG3' ' A' ' 13' ' ' MET . 3.8 m-85 -81.19 -28.76 34.82 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.528 -0.733 . . . . 0.0 110.15 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.04 -49.92 68.27 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.605 -0.684 . . . . 0.0 110.157 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.61 -28.53 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.587 -0.695 . . . . 0.0 109.926 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -74.35 -28.57 61.19 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.467 -0.771 . . . . 0.0 110.206 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 m -94.87 -27.82 15.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.621 -0.675 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 m -81.36 -28.28 34.52 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.546 -0.721 . . . . 0.0 110.284 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -73.65 -37.02 65.44 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.533 -0.729 . . . . 0.0 110.199 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.43 -50.67 64.56 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.528 -0.732 . . . . 0.0 110.153 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.76 -24.04 66.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.613 -0.679 . . . . 0.0 110.411 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -73.26 -40.6 64.49 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.473 -0.767 . . . . 0.0 110.41 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -69.55 -20.05 63.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.553 -0.717 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -78.09 -24.5 47.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.313 -0.867 . . . . 0.0 110.855 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 10.4 ptpt -118.17 17.81 13.91 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.335 -0.853 . . . . 0.0 111.241 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 60.7 m-70 -144.16 79.21 13.16 Favored Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 121.285 -0.885 . . . . 0.0 110.247 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.9 -42.51 0.77 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.404 1.213 . . . . 0.0 110.354 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -109.96 66.4 0.63 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.562 -0.711 . . . . 0.0 110.324 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -153.12 127.31 9.12 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.505 -0.747 . . . . 0.0 110.141 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.8 m -82.9 131.23 35.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.526 -0.734 . . . . 0.0 110.204 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.9 p -141.56 65.25 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.597 -0.69 . . . . 0.0 110.332 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.0 -170.01 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.435 -0.791 . . . . 0.0 109.688 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' SER . 84.3 m-85 -68.38 -43.71 76.75 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 119.454 -0.899 . . . . 0.0 110.755 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -69.13 -45.5 70.0 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.025 -1.047 . . . . 0.0 111.241 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.55 -16.6 49.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.389 -0.819 . . . . 0.0 110.284 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.526 ' HB2' HG22 ' A' ' 36' ' ' VAL . 32.0 t80 -112.41 -44.34 3.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 0.0 111.003 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.487 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 88.6 p -56.63 -22.38 33.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.519 -0.738 . . . . 0.0 110.202 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -82.65 -25.02 33.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.522 -0.736 . . . . 0.0 110.505 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -84.66 -43.26 14.54 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.465 -0.772 . . . . 0.0 110.964 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -58.44 -29.15 65.93 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.359 -0.838 . . . . 0.0 110.431 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.3 p -67.1 -33.39 75.36 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.627 -0.671 . . . . 0.0 110.133 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.53 -33.88 71.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.51 -0.744 . . . . 0.0 110.077 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -28.2 19.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.647 -0.658 . . . . 0.0 110.095 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -74.78 -33.53 62.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.526 -0.734 . . . . 0.0 110.309 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -83.04 -27.91 29.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.461 -0.775 . . . . 0.0 110.414 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.6 p -81.48 -26.19 35.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.556 -0.715 . . . . 0.0 110.36 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 36.2 mtp -59.38 164.88 3.05 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.399 -0.813 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.4 t -100.86 175.83 5.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.586 -0.696 . . . . 0.0 110.278 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.73 -24.51 63.56 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.607 -0.683 . . . . 0.0 110.481 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.98 -31.44 71.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.479 -0.763 . . . . 0.0 109.832 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.93 -41.37 9.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.712 -0.618 . . . . 0.0 109.869 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -66.46 -21.23 66.19 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.725 -0.61 . . . . 0.0 110.434 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 p -73.18 -29.61 62.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.346 -0.846 . . . . 0.0 110.255 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -61.67 -29.19 69.92 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.587 -0.696 . . . . 0.0 110.093 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -83.25 -29.23 28.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.635 -0.665 . . . . 0.0 110.185 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.04 -28.95 57.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.57 -0.706 . . . . 0.0 110.216 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.05 -28.6 57.72 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.601 -0.687 . . . . 0.0 110.233 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.9 mmt -78.83 -29.47 44.72 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.499 -0.751 . . . . 0.0 110.182 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.28 52.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.567 -0.708 . . . . 0.0 110.169 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -67.18 -29.53 69.24 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.596 -0.69 . . . . 0.0 110.148 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 t -62.1 -38.56 89.35 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.59 -0.694 . . . . 0.0 110.081 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -85.48 -30.13 23.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.539 -0.726 . . . . 0.0 110.118 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -70.8 -33.2 70.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.576 -0.702 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.27 -28.12 56.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.608 -0.682 . . . . 0.0 110.258 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 -95.34 23.57 5.77 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.475 -0.765 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.398 -0.814 . . . . 0.0 110.531 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.035 0.445 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 39.9 mtt -139.45 -168.21 2.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.635 -0.666 . . . . 0.0 110.108 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -146.66 178.35 8.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.576 -0.702 . . . . 0.0 110.121 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.2 p -77.39 -28.49 52.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.538 -0.726 . . . . 0.0 110.212 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -75.86 -29.17 58.44 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.523 -0.736 . . . . 0.0 110.201 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.39 -38.76 63.03 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.566 -0.709 . . . . 0.0 110.102 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.17 -29.04 65.83 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.627 -0.67 . . . . 0.0 110.039 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -61.73 -58.46 7.93 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.0 110.058 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.44 -36.69 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.571 -0.706 . . . . 0.0 109.706 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -63.64 -44.72 93.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.52 -0.738 . . . . 0.0 109.961 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.3 m -78.08 -29.46 49.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.585 -0.697 . . . . 0.0 110.029 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.1 m -74.76 -27.48 60.36 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.505 -0.747 . . . . 0.0 110.155 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.32 -43.55 66.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.499 -0.751 . . . . 0.0 109.674 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -62.72 -43.29 99.18 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.692 -0.63 . . . . 0.0 109.74 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -25.38 67.43 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.735 -0.603 . . . . 0.0 110.055 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.528 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 56.2 t60 -95.4 37.39 1.19 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.497 -0.752 . . . . 0.0 109.901 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 41.41 3.48 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.233 -0.917 . . . . 0.0 110.503 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -127.05 -42.55 1.72 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.486 -0.759 . . . . 0.0 110.066 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.24 61.08 1.6 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.67 -0.644 . . . . 0.0 109.956 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 17.8 m80 -144.79 53.72 2.23 Favored Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.388 -0.82 . . . . 0.0 109.799 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.4 Cg_endo -72.86 -50.54 0.21 Allowed 'Trans proline' 0 C--N 1.316 -1.138 0 O-C-N 123.354 1.186 . . . . 0.0 110.504 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -84.81 -28.06 26.38 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.526 -0.734 . . . . 0.0 110.377 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -87.56 129.51 35.07 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 0.0 110.191 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.5 p -91.86 -173.21 3.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.548 -0.72 . . . . 0.0 109.931 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.2 p -167.31 65.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.51 -0.744 . . . . 0.0 110.503 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -60.61 179.84 0.15 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.363 -0.836 . . . . 0.0 109.701 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -68.74 -45.08 72.4 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.328 -0.858 . . . . 0.0 110.19 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.25 -41.95 69.46 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.276 -0.89 . . . . 0.0 110.494 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -63.4 -16.09 59.5 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.964 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -112.39 -45.84 3.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.0 p -55.95 -23.62 33.15 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.637 -0.664 . . . . 0.0 110.117 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -79.47 -30.16 41.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.512 -0.743 . . . . 0.0 109.676 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -85.31 -43.42 13.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.665 -0.647 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.1 m -60.91 -29.41 69.58 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.48 -0.762 . . . . 0.0 109.986 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.7 p -67.72 -34.65 77.28 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.534 -0.729 . . . . 0.0 109.796 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.07 -29.34 70.48 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.695 -0.628 . . . . 0.0 109.972 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.2 ttt-85 -91.96 -35.53 13.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.632 -0.667 . . . . 0.0 110.052 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.404 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 72.2 t-105 -66.9 -48.82 67.54 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.628 -0.67 . . . . 0.0 110.046 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -66.39 -26.97 67.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.541 -0.725 . . . . 0.0 110.478 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.1 p -89.24 -27.14 20.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.471 -0.768 . . . . 0.0 110.386 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 mtp -59.76 153.8 19.64 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.486 -0.759 . . . . 0.0 110.245 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.5 t -100.97 -178.34 3.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.523 -0.736 . . . . 0.0 110.347 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.16 -21.28 65.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.649 -0.657 . . . . 0.0 110.714 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -68.98 -29.47 67.68 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.356 -0.84 . . . . 0.0 109.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -102.66 -39.37 7.08 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.646 -0.659 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 35.2 mtmt -70.03 -18.9 63.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.704 -0.623 . . . . 0.0 110.568 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 p -60.02 -30.16 68.97 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.388 -0.82 . . . . 0.0 110.391 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -66.87 -28.92 68.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.627 -0.67 . . . . 0.0 110.255 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.17 -28.66 21.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.602 -0.686 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.5 -28.64 63.01 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.517 -0.739 . . . . 0.0 110.178 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.66 -28.36 36.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.589 -0.694 . . . . 0.0 110.19 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 61.3 mtp -76.56 -31.41 57.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.6 -0.688 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.04 -39.25 61.1 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.563 -0.711 . . . . 0.0 110.123 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -65.08 -29.59 70.48 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.643 -0.661 . . . . 0.0 110.118 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -61.8 -39.27 91.14 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.574 -0.704 . . . . 0.0 110.091 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -83.25 -29.32 28.53 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.616 -0.678 . . . . 0.0 110.15 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.62 -29.1 67.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.638 -0.664 . . . . 0.0 110.061 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.16 -25.08 39.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.6 -0.687 . . . . 0.0 110.392 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -58.59 -27.85 65.02 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.484 -0.76 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.496 1.853 0 O-C-N 121.538 -0.726 . . . . 0.0 110.109 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.058 0.456 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.867 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -106.4 20.95 18.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.54 -0.725 . . . . 0.0 110.751 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 8.4 t 44.66 -156.15 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.44 -0.788 . . . . 0.0 111.733 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p -100.57 -21.54 15.26 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.619 -0.676 . . . . 0.0 110.005 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -94.07 -34.14 13.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.44 -0.787 . . . . 0.0 110.402 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.867 ' HB3' ' O ' ' A' ' 13' ' ' MET . . . -74.81 -29.71 61.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.412 -0.805 . . . . 0.0 109.804 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' A' ' 13' ' ' MET . 0.1 OUTLIER -71.47 -28.83 64.21 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.586 -0.696 . . . . 0.0 109.667 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -61.17 -49.34 77.59 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.604 -0.685 . . . . 0.0 110.257 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.5 t -61.98 -28.48 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.533 -0.729 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -78.22 -29.42 48.31 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.492 -0.755 . . . . 0.0 110.206 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 m -88.27 -28.63 20.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.613 -0.679 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -83.31 -27.95 29.42 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.543 -0.723 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -71.93 -39.97 69.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.541 -0.724 . . . . 0.0 110.187 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.11 -55.66 29.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.588 -0.695 . . . . 0.0 110.164 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.16 -25.61 67.85 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.574 -0.704 . . . . 0.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 51.7 t60 -70.91 -38.97 72.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.534 -0.729 . . . . 0.0 110.354 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -70.18 -13.85 62.37 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.661 -0.649 . . . . 0.0 111.157 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -87.98 -23.42 23.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.252 -0.905 . . . . 0.0 110.956 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 25.0 pttt -118.01 18.03 14.0 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.417 -0.802 . . . . 0.0 111.293 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 59.0 m-70 -144.53 79.99 12.12 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.354 -0.841 . . . . 0.0 110.275 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.26 -47.92 0.23 Allowed 'Trans proline' 0 C--N 1.317 -1.115 0 O-C-N 123.392 1.207 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.89 62.1 0.99 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.63 -0.669 . . . . 0.0 110.237 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -158.42 125.96 5.07 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.567 -0.708 . . . . 0.0 110.286 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -81.9 162.24 22.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.659 -0.651 . . . . 0.0 110.176 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.8 p -166.61 65.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.605 -0.684 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -59.59 -169.73 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.331 -0.855 . . . . 0.0 109.499 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -69.04 -41.9 77.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 0.0 110.815 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.508 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -70.08 -46.14 65.54 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.102 -0.999 . . . . 0.0 111.422 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -60.73 -17.15 46.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.311 -0.868 . . . . 0.0 110.341 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' HB2' HG22 ' A' ' 36' ' ' VAL . 14.0 t80 -111.61 -42.15 3.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.339 -0.85 . . . . 0.0 111.093 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.508 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 91.9 p -60.37 -18.52 50.8 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.478 -0.764 . . . . 0.0 110.289 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -89.21 -26.81 21.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.381 -0.824 . . . . 0.0 110.34 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -36.53 20.38 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.547 -0.721 . . . . 0.0 110.765 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -58.7 -27.51 64.93 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.36 -0.837 . . . . 0.0 110.414 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.2 p -67.5 -28.43 67.83 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.628 -0.67 . . . . 0.0 110.11 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.39 -28.11 61.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.565 -0.709 . . . . 0.0 110.188 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -94.52 -37.15 11.52 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.566 -0.709 . . . . 0.0 110.288 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -64.22 -47.37 79.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.614 -0.679 . . . . 0.0 110.252 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -64.55 -27.64 69.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.558 -0.714 . . . . 0.0 110.348 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.4 p -85.97 -27.87 24.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.504 -0.747 . . . . 0.0 110.312 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.9 mmm -60.79 137.7 58.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.507 -0.746 . . . . 0.0 110.284 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.9 m -88.61 163.56 15.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.59 -0.694 . . . . 0.0 110.146 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.55 -31.27 45.8 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.42 -0.8 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -74.38 -27.5 60.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.616 -0.677 . . . . 0.0 109.993 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.64 -36.09 16.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.566 -0.709 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.9 24.07 5.06 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.574 -0.703 . . . . 0.0 110.518 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.0 p -76.9 -29.49 55.76 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.493 -0.754 . . . . 0.0 109.971 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -67.92 -34.57 76.88 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.663 -0.648 . . . . 0.0 109.91 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -73.04 -42.69 62.88 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.697 -0.627 . . . . 0.0 109.893 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -69.84 -29.56 66.84 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.615 -0.678 . . . . 0.0 109.981 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.17 -29.41 38.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.594 -0.691 . . . . 0.0 110.092 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 33.7 mtp -76.5 -29.72 56.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.612 -0.68 . . . . 0.0 110.053 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -76.83 -38.65 53.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.695 -0.628 . . . . 0.0 110.042 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -67.14 -31.05 71.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.531 -0.731 . . . . 0.0 110.028 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -63.74 -45.99 87.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.54 -0.725 . . . . 0.0 110.031 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.63 -28.94 33.42 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.656 -0.652 . . . . 0.0 110.15 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -30.92 66.68 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.55 -0.719 . . . . 0.0 110.178 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.61 -29.22 20.14 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.525 -0.734 . . . . 0.0 110.094 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -76.07 -26.29 56.37 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.574 -0.704 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.9 t80 . . . . . 0 N--CA 1.498 1.952 0 O-C-N 121.491 -0.756 . . . . 0.0 110.375 -179.982 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 121.208 0.528 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt 53.02 97.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.44 -0.787 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.3 t -61.67 -170.81 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.563 -0.71 . . . . 0.0 110.101 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.8 p -81.42 -29.26 33.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.605 -0.684 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.01 -28.27 69.39 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.642 -0.661 . . . . 0.0 110.165 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.93 -28.91 55.43 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.568 -0.707 . . . . 0.0 110.169 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -79.88 -28.62 39.92 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.577 -0.702 . . . . 0.0 110.231 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -66.09 -47.66 73.51 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.563 -0.711 . . . . 0.0 110.178 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -69.98 -28.44 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.547 -0.721 . . . . 0.0 109.954 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -45.48 27.04 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.52 -0.738 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.7 m -74.37 -27.97 60.9 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.537 -0.727 . . . . 0.0 110.233 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 m -80.24 -26.01 39.28 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.549 -0.72 . . . . 0.0 110.416 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -39.76 63.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.489 -0.757 . . . . 0.0 110.061 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.82 -53.04 61.39 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.72 -0.613 . . . . 0.0 110.015 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.82 -31.54 71.78 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.597 -0.69 . . . . 0.0 109.878 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -64.5 -32.89 74.71 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.675 -0.641 . . . . 0.0 110.101 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -62.75 -61.01 2.71 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.606 -0.684 . . . . 0.0 110.553 -179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -61.45 -22.17 64.8 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.568 -0.708 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 5.0 tttt -92.63 -22.08 19.67 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.455 -0.778 . . . . 0.0 109.711 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.467 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 90.0 m-70 -132.15 84.33 53.1 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.226 -0.921 . . . . 0.0 110.145 179.635 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.18 -43.3 0.75 Allowed 'Trans proline' 0 C--N 1.317 -1.094 0 O-C-N 123.471 1.248 . . . . 0.0 110.457 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -100.37 62.06 1.07 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.546 -0.721 . . . . 0.0 110.18 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.74 139.32 5.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.522 -0.736 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.2 p -88.55 175.01 7.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.617 -0.677 . . . . 0.0 110.129 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.6 p -167.63 68.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.539 -0.725 . . . . 0.0 110.226 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -58.94 -173.25 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.51 -0.744 . . . . 0.0 109.74 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -76.72 -41.27 45.81 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.79 -44.1 67.32 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.228 -0.92 . . . . 0.0 110.931 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.56 -16.7 57.52 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.619 -0.833 . . . . 0.0 110.13 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -111.83 -43.22 3.64 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.325 -0.859 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p -57.14 -21.98 36.68 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.465 -0.772 . . . . 0.0 110.076 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -86.89 -27.2 23.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.528 -0.733 . . . . 0.0 110.331 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -84.79 -39.26 18.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.512 -0.742 . . . . 0.0 110.798 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.2 p -58.53 -31.1 67.61 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.437 -0.79 . . . . 0.0 110.417 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.8 p -66.65 -31.76 72.65 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.668 -0.645 . . . . 0.0 110.033 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -65.85 -29.5 69.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.65 -0.656 . . . . 0.0 109.936 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 -100.73 -32.95 10.47 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.623 -0.673 . . . . 0.0 110.13 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -64.42 -33.15 75.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.499 -0.75 . . . . 0.0 110.063 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -78.25 -28.21 47.7 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.581 -0.699 . . . . 0.0 110.235 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.8 p -82.49 -29.8 30.29 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.544 -0.722 . . . . 0.0 110.209 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 72.6 mtp -61.72 159.46 13.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.551 -0.718 . . . . 0.0 110.157 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.8 p -117.74 -164.77 1.03 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.535 -0.728 . . . . 0.0 110.279 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.34 -20.47 63.86 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.624 -0.673 . . . . 0.0 110.631 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -69.89 -30.0 67.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.268 -0.895 . . . . 0.0 109.926 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -100.91 -39.74 7.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.609 -0.682 . . . . 0.0 110.011 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -67.81 -19.26 65.06 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.669 -0.645 . . . . 0.0 110.577 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 p -58.45 -32.06 68.37 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.303 -0.873 . . . . 0.0 110.477 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -72.62 -31.88 65.5 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.598 -0.689 . . . . 0.0 110.132 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -90.82 -28.75 17.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.569 -0.707 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -74.03 -29.09 61.75 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.543 -0.723 . . . . 0.0 110.116 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.24 -29.08 57.39 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.68 -0.637 . . . . 0.0 110.163 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.5 mmm -69.31 -35.03 75.55 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.605 -0.685 . . . . 0.0 110.076 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.74 -35.99 51.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.686 . . . . 0.0 110.061 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -67.79 -28.63 67.76 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -61.01 -47.05 88.25 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.577 -0.702 . . . . 0.0 110.056 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.95 -30.73 50.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.619 -0.676 . . . . 0.0 110.077 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -63.72 -29.32 70.56 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.542 -0.724 . . . . 0.0 110.157 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.53 -28.67 24.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.601 -0.687 . . . . 0.0 110.193 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -95.71 24.32 5.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.507 -0.746 . . . . 0.0 110.454 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.3 t80 . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.446 -0.784 . . . . 0.0 110.206 179.936 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HE3' ' CG ' ' A' ' 71' ' ' TYR . 18.0 mttp . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.124 0.488 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.402 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 49.6 mtt -139.59 114.97 9.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.509 -0.744 . . . . 0.0 110.204 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.466 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 10.6 t -84.63 177.46 8.05 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.564 -0.71 . . . . 0.0 110.169 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.2 p -69.29 -28.94 66.73 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.604 -0.685 . . . . 0.0 110.187 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -66.32 -29.05 69.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.469 -0.77 . . . . 0.0 110.142 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.08 -29.86 39.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.585 -0.697 . . . . 0.0 110.126 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 18.7 m-85 -79.6 -29.0 41.0 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.619 -0.676 . . . . 0.0 110.097 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.11 -52.15 63.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.58 -0.7 . . . . 0.0 110.065 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.94 -29.42 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.599 -0.688 . . . . 0.0 109.862 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -69.75 -34.22 73.51 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.622 -0.674 . . . . 0.0 110.056 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -84.64 -29.61 25.58 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.637 -0.664 . . . . 0.0 110.09 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 m -79.61 -29.52 41.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.704 -0.622 . . . . 0.0 110.133 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -35.44 73.68 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.614 -0.679 . . . . 0.0 109.986 179.824 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -67.14 -33.62 75.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.633 -0.667 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -95.14 22.51 6.62 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.496 -0.753 . . . . 0.0 110.535 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -105.01 -48.75 3.65 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.404 -0.81 . . . . 0.0 110.066 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -59.24 -27.44 65.78 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.622 -0.673 . . . . 0.0 110.413 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -60.01 -27.25 66.73 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.539 -0.725 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 11.8 ptpt -132.4 19.59 4.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.474 -0.766 . . . . 0.0 110.969 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 69.6 m-70 -144.13 62.32 10.16 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.374 -0.829 . . . . 0.0 110.025 179.443 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.54 -40.78 1.95 Allowed 'Trans proline' 0 C--N 1.318 -1.065 0 O-C-N 123.328 1.173 . . . . 0.0 110.485 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -99.62 39.01 1.35 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.612 -0.68 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 t -114.24 140.27 48.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.592 -0.693 . . . . 0.0 110.166 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 t -98.55 88.4 4.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.535 -0.728 . . . . 0.0 110.243 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.74 92.34 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.561 -0.712 . . . . 0.0 110.244 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 39' ' ' ALA . 18.3 p30 -93.68 48.12 1.27 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.616 -0.677 . . . . 0.0 109.282 178.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 59.48 -77.28 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 O-C-N 122.194 -0.316 . . . . 0.0 111.219 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -45.42 -45.23 12.69 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.452 -0.78 . . . . 0.0 112.532 -178.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -58.25 -21.34 47.96 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.246 -0.909 . . . . 0.0 109.938 179.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -109.8 -33.75 6.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.583 -0.698 . . . . 0.0 109.985 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 p -61.1 -22.16 64.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.717 -0.614 . . . . 0.0 109.874 179.391 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -84.63 -24.75 28.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.501 -0.749 . . . . 0.0 110.375 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -84.79 -41.92 15.66 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.527 -0.733 . . . . 0.0 110.802 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.3 p -58.94 -28.03 65.88 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.395 -0.816 . . . . 0.0 110.467 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -71.55 -31.41 66.98 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.545 -0.722 . . . . 0.0 110.088 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -70.63 -34.81 72.49 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.549 -0.719 . . . . 0.0 109.95 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.64 -37.53 16.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.658 -0.651 . . . . 0.0 110.068 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -62.85 -49.31 75.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.618 -0.676 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -65.27 -26.15 67.96 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.595 -0.691 . . . . 0.0 110.549 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.7 p -90.04 -22.18 21.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.504 -0.748 . . . . 0.0 110.713 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.3 mmm -57.85 143.57 41.96 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.314 -0.866 . . . . 0.0 110.399 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.3 m -83.99 162.2 20.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.469 -0.769 . . . . 0.0 110.206 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.58 -29.8 64.75 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.496 -0.753 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -75.93 -29.05 58.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.532 -0.73 . . . . 0.0 109.982 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -86.51 -34.59 19.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.563 -0.71 . . . . 0.0 110.142 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 26.98 3.77 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.514 -0.741 . . . . 0.0 110.46 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 p -85.48 -30.97 23.05 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.546 -0.721 . . . . 0.0 110.161 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -69.1 -30.03 68.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.55 -0.719 . . . . 0.0 110.091 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -84.4 -34.61 23.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.517 -0.739 . . . . 0.0 110.124 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.02 -29.4 64.15 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.578 -0.701 . . . . 0.0 110.142 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -80.32 -28.66 38.15 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.55 -0.719 . . . . 0.0 110.241 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.5 mmm -74.08 -29.83 62.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.519 -0.738 . . . . 0.0 110.082 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -83.68 -29.06 27.9 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.525 -0.734 . . . . 0.0 110.137 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -28.61 64.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.548 -0.72 . . . . 0.0 110.205 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.1 t -73.19 -29.82 63.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.584 -0.697 . . . . 0.0 110.163 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -84.72 -31.21 24.18 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.628 -0.67 . . . . 0.0 110.155 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -29.23 70.62 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.615 -0.678 . . . . 0.0 110.224 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.95 -28.5 49.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.652 -0.655 . . . . 0.0 110.229 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -61.98 -29.01 69.96 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.519 -0.738 . . . . 0.0 110.139 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.437 ' CG ' ' HE3' ' A' ' 12' ' ' LYS . 30.9 t80 . . . . . 0 N--CA 1.494 1.73 0 O-C-N 121.649 -0.657 . . . . 0.0 110.312 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.106 0.479 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -126.26 -169.31 1.99 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.61 -0.681 . . . . 0.0 110.164 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.7 t -154.82 167.3 30.72 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.602 -0.686 . . . . 0.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.4 p -72.55 -28.33 62.76 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.631 -0.668 . . . . 0.0 110.207 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -75.74 -29.13 58.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.578 -0.701 . . . . 0.0 110.166 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.62 59.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.587 -0.695 . . . . 0.0 110.163 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -78.12 -29.19 48.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.549 -0.719 . . . . 0.0 110.09 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -61.87 -47.73 83.7 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.543 -0.723 . . . . 0.0 110.059 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.9 t -72.84 -30.02 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.597 -0.689 . . . . 0.0 109.85 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -71.77 -29.0 64.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.531 -0.73 . . . . 0.0 110.197 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.8 m -94.55 -28.47 15.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.64 -0.662 . . . . 0.0 110.167 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.2 m -83.43 -35.19 25.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.501 -0.749 . . . . 0.0 110.2 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -70.99 -35.38 72.08 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.548 -0.72 . . . . 0.0 109.987 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.78 -37.75 79.92 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.476 -0.765 . . . . 0.0 109.812 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -94.62 19.77 9.43 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.636 -0.665 . . . . 0.0 110.206 179.26 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -105.1 -52.82 2.77 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.43 -0.794 . . . . 0.0 110.078 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -60.62 -32.49 71.63 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.533 -0.729 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -61.58 -25.42 67.32 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.596 -0.69 . . . . 0.0 110.426 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 2.3 ptmt -124.79 15.49 8.67 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.468 -0.77 . . . . 0.0 111.16 -179.729 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 50.5 m-70 -143.04 67.56 17.38 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.183 -0.948 . . . . 0.0 110.168 179.35 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.99 -35.98 4.83 Favored 'Trans proline' 0 C--N 1.318 -1.027 0 O-C-N 123.241 1.127 . . . . 0.0 110.406 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.99 -33.37 33.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.642 -0.662 . . . . 0.0 110.16 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -89.01 138.55 31.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.547 -0.72 . . . . 0.0 110.104 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 m -99.55 -169.55 1.77 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.605 -0.684 . . . . 0.0 110.324 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.7 p -163.65 71.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.633 -0.667 . . . . 0.0 109.927 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' ALA . 7.1 p-10 -76.4 60.63 1.59 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.494 -0.754 . . . . 0.0 110.888 -179.501 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 59.55 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.779 -0.575 . . . . 0.0 111.6 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -46.66 -49.16 19.65 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.177 -0.952 . . . . 0.0 112.245 -178.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -55.21 -23.41 22.01 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.28 -0.888 . . . . 0.0 109.6 178.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.454 ' HB2' HG23 ' A' ' 36' ' ' VAL . 2.8 t80 -101.59 -34.48 9.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.534 0.683 . . . . 0.0 109.83 179.247 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 p -57.79 -21.93 44.55 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.889 -0.507 . . . . 0.0 110.25 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -90.95 -24.82 20.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.641 -0.662 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -89.99 -46.91 8.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.436 -0.79 . . . . 0.0 110.989 -179.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -57.92 -27.63 63.53 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.379 -0.825 . . . . 0.0 110.597 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.0 p -70.19 -35.27 73.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.532 -0.73 . . . . 0.0 110.091 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.57 -33.36 75.42 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.537 -0.727 . . . . 0.0 110.101 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -86.49 -44.03 12.3 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.672 -0.642 . . . . 0.0 110.236 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -60.81 -34.62 74.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.555 -0.716 . . . . 0.0 110.13 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -78.21 -24.61 47.0 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.582 -0.699 . . . . 0.0 110.586 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.9 p -100.57 -13.61 18.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.409 -0.807 . . . . 0.0 111.165 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.79 153.59 13.52 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.261 -0.899 . . . . 0.0 110.462 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 p -92.58 176.65 6.38 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.552 -0.717 . . . . 0.0 110.276 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.51 -26.16 66.2 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.62 -0.675 . . . . 0.0 110.348 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -69.54 -29.67 67.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.45 -0.781 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -94.15 -52.0 4.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.602 -0.686 . . . . 0.0 110.081 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -56.06 -24.27 38.74 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.461 -0.774 . . . . 0.0 110.585 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.1 p -66.04 -28.04 68.55 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.501 -0.749 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -69.44 -28.58 66.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.628 -0.67 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -90.92 -28.12 18.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.579 -0.701 . . . . 0.0 110.311 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -69.75 -27.74 65.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.503 -0.748 . . . . 0.0 110.284 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -81.42 -30.43 33.54 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.531 -0.73 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.76 -31.16 66.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.502 -0.749 . . . . 0.0 110.104 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.13 -42.39 32.0 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.541 -0.724 . . . . 0.0 110.204 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -64.29 -28.82 69.98 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.584 -0.697 . . . . 0.0 110.227 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 t -65.39 -38.56 90.36 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.483 -0.76 . . . . 0.0 110.178 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -89.62 -28.5 19.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.532 -0.73 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -70.83 -28.57 64.71 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.567 -0.708 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.55 -23.96 29.49 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.516 -0.74 . . . . 0.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -58.26 -35.23 71.44 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.367 -0.833 . . . . 0.0 110.523 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.495 1.817 0 O-C-N 121.548 -0.72 . . . . 0.0 110.367 -179.978 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.058 0.456 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -129.94 -167.81 1.86 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.558 -0.714 . . . . 0.0 110.165 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.568 ' H ' ' HB3' ' A' ' 17' ' ' ALA . 6.5 t -149.97 178.11 9.23 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.521 -0.737 . . . . 0.0 110.215 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.9 p -62.35 -29.25 70.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.551 -0.718 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -81.59 -28.57 33.72 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.519 -0.738 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.568 ' HB3' ' H ' ' A' ' 14' ' ' SER . . . -79.82 -30.99 40.63 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.487 -0.758 . . . . 0.0 110.196 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.82 -29.82 61.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.56 -0.712 . . . . 0.0 110.121 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.45 -46.46 76.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.595 -0.691 . . . . 0.0 110.102 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -67.92 -30.65 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.628 -0.67 . . . . 0.0 109.846 179.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -65.37 -30.2 71.01 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.609 -0.682 . . . . 0.0 110.01 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -84.45 -29.17 26.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.609 -0.682 . . . . 0.0 110.14 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.5 m -84.66 -28.82 26.16 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.611 -0.681 . . . . 0.0 110.213 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -36.26 69.7 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.627 -0.671 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -69.12 -50.56 46.91 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.666 -0.646 . . . . 0.0 110.0 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -60.81 -25.94 66.95 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.585 -0.697 . . . . 0.0 110.196 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -63.21 -27.86 69.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.498 -0.751 . . . . 0.0 110.242 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -81.27 59.11 3.82 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.548 -0.72 . . . . 0.0 110.217 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -157.3 -44.18 0.07 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.611 -0.68 . . . . 0.0 109.846 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -118.81 27.74 8.71 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.702 -0.624 . . . . 0.0 110.392 179.651 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 87.0 m-70 -147.13 68.52 11.39 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.608 -0.682 . . . . 0.0 110.074 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.78 -48.74 0.28 Allowed 'Trans proline' 0 C--N 1.317 -1.126 0 O-C-N 123.297 1.156 . . . . 0.0 110.413 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -91.86 52.98 2.1 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.631 -0.668 . . . . 0.0 110.203 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.2 m -148.85 120.05 7.78 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.552 -0.718 . . . . 0.0 110.223 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -95.38 95.63 8.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.598 -0.689 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.428 ' CG2' ' CD1' ' A' ' 41' ' ' PHE . 12.7 p -85.82 146.72 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.578 -0.701 . . . . 0.0 110.345 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' HB3' ' HG2' ' A' ' 40' ' ' GLU . 6.7 t30 -123.18 -153.33 0.55 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.8 -52.5 3.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.36 -0.838 . . . . 0.0 110.031 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 42' ' ' SER . . . -71.74 -57.94 3.91 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.741 -0.6 . . . . 0.0 111.27 -179.138 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HG2' ' HB3' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -54.49 -23.39 16.1 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.207 -0.933 . . . . 0.0 109.518 179.134 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CD1' ' CG2' ' A' ' 36' ' ' VAL . 56.8 t80 -96.17 -19.91 19.0 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 121.64 -0.663 . . . . 0.0 110.386 178.496 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -65.26 -32.5 74.19 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.307 -0.87 . . . . 0.0 109.432 179.472 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -68.01 -20.31 65.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.853 -0.53 . . . . 0.0 110.716 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -84.39 -53.79 5.21 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.335 -0.853 . . . . 0.0 110.587 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -60.07 -29.04 68.29 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.545 -0.722 . . . . 0.0 110.438 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.9 p -63.11 -32.56 73.97 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.536 -0.727 . . . . 0.0 110.159 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.69 -30.37 70.6 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.546 -0.721 . . . . 0.0 110.086 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -92.68 -29.03 16.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.645 -0.66 . . . . 0.0 110.188 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -72.5 -52.34 16.16 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.52 -0.737 . . . . 0.0 110.089 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -63.03 -27.38 69.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.695 -0.628 . . . . 0.0 110.403 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.4 p -82.2 -29.45 31.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.528 -0.732 . . . . 0.0 110.268 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.5 mtp -61.6 165.32 5.09 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.541 -0.724 . . . . 0.0 110.171 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -108.16 -174.41 2.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.569 -0.707 . . . . 0.0 110.32 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.8 -21.91 62.42 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.63 -0.668 . . . . 0.0 110.586 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -68.62 -30.39 69.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.385 -0.822 . . . . 0.0 109.883 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -98.84 -41.14 7.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.655 -0.653 . . . . 0.0 109.949 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -65.01 -21.58 66.87 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.63 -0.669 . . . . 0.0 110.512 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 p -67.42 -31.23 71.29 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.424 -0.797 . . . . 0.0 110.336 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -66.15 -28.94 69.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.567 -0.708 . . . . 0.0 110.173 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -91.44 -28.47 17.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.588 -0.695 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -79.26 -28.51 42.37 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.591 -0.693 . . . . 0.0 110.248 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.16 -28.68 42.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.595 -0.69 . . . . 0.0 110.254 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.9 mmt -82.81 -28.84 29.96 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.551 -0.718 . . . . 0.0 110.126 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.88 -45.82 40.35 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.562 -0.711 . . . . 0.0 110.168 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -69.21 -28.32 66.26 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.629 -0.669 . . . . 0.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -28.82 69.39 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.551 -0.718 . . . . 0.0 110.172 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -102.83 -29.9 11.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.565 -0.709 . . . . 0.0 110.172 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -68.1 -30.56 69.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.636 -0.665 . . . . 0.0 110.227 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.66 -28.76 63.96 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.565 -0.709 . . . . 0.0 110.178 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -65.92 -28.95 69.3 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.621 -0.675 . . . . 0.0 110.152 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.496 1.86 0 O-C-N 121.474 -0.766 . . . . 0.0 110.141 179.995 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 121.079 0.466 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.9 mtt -132.27 -170.94 2.52 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.661 -0.65 . . . . 0.0 110.235 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.526 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.8 t -153.56 178.7 9.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.555 -0.715 . . . . 0.0 110.214 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.6 p -68.65 -28.7 67.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.58 -0.7 . . . . 0.0 110.19 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -77.49 -28.71 52.28 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.599 -0.688 . . . . 0.0 110.132 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.07 -31.9 50.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.532 -0.73 . . . . 0.0 110.188 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.69 -28.96 33.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.607 -0.683 . . . . 0.0 110.147 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.69 -41.9 95.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.658 -0.652 . . . . 0.0 110.169 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.15 -29.8 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.633 -0.667 . . . . 0.0 109.919 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.36 -46.11 28.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.706 . . . . 0.0 110.179 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.8 m -66.3 -27.75 68.16 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.535 -0.728 . . . . 0.0 110.253 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -86.05 -28.33 24.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.529 -0.732 . . . . 0.0 110.382 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -39.11 63.72 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.604 -0.685 . . . . 0.0 110.115 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.16 -41.08 97.96 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.536 -0.727 . . . . 0.0 109.926 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.32 -17.56 56.4 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.628 -0.67 . . . . 0.0 110.709 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -64.62 -47.8 77.26 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.343 -0.848 . . . . 0.0 110.292 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -60.24 -27.78 67.5 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -64.29 -27.25 68.91 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.509 -0.745 . . . . 0.0 110.404 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -125.26 17.46 8.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.531 -0.731 . . . . 0.0 110.964 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 80.1 m-70 -145.79 66.47 11.85 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.314 -0.866 . . . . 0.0 110.005 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.83 -31.13 10.6 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 O-C-N 123.261 1.137 . . . . 0.0 110.498 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -104.77 53.08 0.73 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.53 -0.732 . . . . 0.0 110.337 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 t -168.39 134.94 1.95 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.508 -0.745 . . . . 0.0 110.389 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.8 t -89.43 179.97 5.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.605 -0.684 . . . . 0.0 109.932 179.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.633 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.9 p -168.13 89.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.466 -0.771 . . . . 0.0 110.712 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -70.95 -168.2 0.26 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.348 -0.845 . . . . 0.0 109.459 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -80.79 -48.3 12.67 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.361 -0.837 . . . . 0.0 110.202 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.49 -40.42 73.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.267 -0.895 . . . . 0.0 110.618 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -63.26 -16.35 59.99 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.066 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -114.41 -46.13 2.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.313 -0.867 . . . . 0.0 110.752 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.0 p -55.05 -24.13 23.48 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.518 -0.739 . . . . 0.0 110.138 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -30.48 64.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.584 -0.697 . . . . 0.0 109.563 179.205 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.22 -39.08 16.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.636 -0.665 . . . . 0.0 110.165 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.9 m -61.59 -29.1 69.82 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.489 -0.757 . . . . 0.0 110.015 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.3 p -66.18 -31.84 72.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.535 -0.728 . . . . 0.0 110.022 179.663 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -67.29 -29.3 68.86 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.637 -0.664 . . . . 0.0 110.0 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' HG22 ' A' ' 51' ' ' THR . 36.8 ttt180 -91.07 -42.61 10.4 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.567 -0.708 . . . . 0.0 109.997 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.428 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 75.8 t-105 -64.51 -28.49 69.69 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.562 -0.711 . . . . 0.0 110.113 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -75.09 -24.23 58.1 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.552 -0.718 . . . . 0.0 110.544 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 48' ' ' ARG . 8.7 t -102.29 -21.43 14.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.495 -0.753 . . . . 0.0 110.81 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 58.2 mtp -56.66 146.63 24.92 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.8 p -93.69 -177.11 4.27 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.608 -0.683 . . . . 0.0 110.417 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.48 -22.85 62.62 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.663 -0.648 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -67.31 -30.57 70.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.355 -0.841 . . . . 0.0 109.773 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -98.34 -43.07 7.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.744 -0.598 . . . . 0.0 109.905 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 30.8 mtpt -65.88 -21.8 66.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.599 -0.688 . . . . 0.0 110.343 179.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 p -63.1 -31.62 72.81 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.392 -0.817 . . . . 0.0 110.306 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -64.26 -29.62 70.71 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.572 -0.705 . . . . 0.0 110.189 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -91.14 -28.67 17.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.524 -0.735 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.79 -28.68 62.73 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.526 -0.734 . . . . 0.0 110.236 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.03 -28.72 57.82 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.582 -0.698 . . . . 0.0 110.149 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.8 mtt -80.74 -28.72 36.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.509 -0.745 . . . . 0.0 110.156 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.75 -32.13 46.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.557 -0.715 . . . . 0.0 110.142 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -75.19 -29.07 60.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 0.0 110.157 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.6 t -70.74 -30.12 66.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.616 -0.677 . . . . 0.0 110.019 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -84.16 -29.43 26.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.599 -0.688 . . . . 0.0 110.103 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -70.64 -32.46 69.78 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.604 -0.685 . . . . 0.0 110.096 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.68 -31.43 24.13 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.562 -0.711 . . . . 0.0 110.135 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -65.86 -23.13 66.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.6 -0.688 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 N--CA 1.499 2.012 0 O-C-N 121.473 -0.767 . . . . 0.0 110.53 -179.94 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.088 0.47 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.439 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -147.28 113.43 5.85 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.588 -0.695 . . . . 0.0 110.34 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.507 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 7.1 t -72.0 178.56 3.69 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.479 -0.763 . . . . 0.0 110.17 -179.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.6 p -63.53 -31.4 72.55 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.666 -0.646 . . . . 0.0 110.179 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -64.6 -28.99 70.0 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.574 -0.704 . . . . 0.0 110.201 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.52 -29.69 59.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.601 -0.687 . . . . 0.0 110.065 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 13' ' ' MET . 11.1 m-85 -79.58 -28.79 41.1 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.579 -0.701 . . . . 0.0 110.218 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -64.09 -47.26 80.73 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.558 -0.714 . . . . 0.0 110.172 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.33 -28.87 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.581 -0.699 . . . . 0.0 110.097 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -77.01 -34.9 57.37 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.513 -0.742 . . . . 0.0 110.235 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.0 m -83.8 -29.15 27.6 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.559 -0.713 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.3 m -83.22 -30.25 27.87 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.586 -0.696 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -62.74 -43.79 97.89 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.546 -0.721 . . . . 0.0 110.06 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -65.57 -32.0 73.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.551 -0.718 . . . . 0.0 109.998 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -95.99 25.06 5.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.613 -0.679 . . . . 0.0 110.31 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -105.13 -45.68 4.45 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.455 -0.778 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.31 -27.01 66.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.591 -0.693 . . . . 0.0 110.404 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -60.92 -26.39 67.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.589 -0.695 . . . . 0.0 110.515 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 1.3 ptmt -132.8 20.95 4.19 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.472 -0.767 . . . . 0.0 110.983 -179.848 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 80.9 m-70 -145.05 63.69 10.32 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.335 -0.853 . . . . 0.0 110.138 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.04 -37.43 3.51 Favored 'Trans proline' 0 C--N 1.318 -1.063 0 O-C-N 123.353 1.186 . . . . 0.0 110.311 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -83.73 -31.08 26.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.642 -0.662 . . . . 0.0 110.16 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.8 t -90.54 132.37 35.74 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.65 -0.656 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p -95.76 -167.48 1.61 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.585 -0.697 . . . . 0.0 110.167 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.1 p -166.46 103.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.627 -0.67 . . . . 0.0 110.082 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -105.79 51.56 0.75 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.303 -0.873 . . . . 0.0 110.573 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 65.44 -62.78 0.22 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.866 -0.521 . . . . 0.0 111.287 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.13 90.83 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.043 -1.035 . . . . 0.0 111.049 -178.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.67 -18.38 41.67 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.412 -0.805 . . . . 0.0 110.017 179.158 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.612 ' HB2' HG23 ' A' ' 36' ' ' VAL . 2.1 t80 -107.2 -46.0 3.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.464 -0.773 . . . . 0.0 110.745 -179.775 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.2 p -55.22 -25.4 32.91 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.703 -0.623 . . . . 0.0 110.386 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -83.6 -28.42 28.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.568 -0.708 . . . . 0.0 109.961 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.94 -45.22 8.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.556 -0.715 . . . . 0.0 110.4 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.6 m -59.61 -25.69 64.85 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.637 -0.665 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.8 p -69.4 -37.59 77.55 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.495 -0.753 . . . . 0.0 109.724 179.421 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.6 -42.03 95.84 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.638 -0.663 . . . . 0.0 109.685 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -78.42 -39.29 39.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.679 -0.638 . . . . 0.0 109.769 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.429 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 72.5 t-105 -62.09 -51.3 68.5 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.575 -0.703 . . . . 0.0 109.63 179.607 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -61.95 -25.43 67.59 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.588 -0.695 . . . . 0.0 110.418 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -97.66 -12.52 22.31 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.471 -0.768 . . . . 0.0 110.991 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 mmm -56.92 170.86 0.39 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.229 -0.92 . . . . 0.0 110.558 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -102.98 166.08 10.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.575 -0.703 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.98 -18.5 65.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.671 -0.643 . . . . 0.0 110.783 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -73.25 -29.9 63.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.33 -0.856 . . . . 0.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -98.97 -37.14 9.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.667 -0.646 . . . . 0.0 110.102 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 27.1 mtmt -71.58 -21.91 61.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.628 -0.67 . . . . 0.0 110.457 179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.9 p -69.84 -29.3 66.52 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.429 -0.794 . . . . 0.0 110.388 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -66.45 -28.65 68.76 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.568 -0.708 . . . . 0.0 110.245 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -93.76 -28.51 15.88 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.541 -0.725 . . . . 0.0 110.341 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -71.7 -27.96 63.38 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.498 -0.751 . . . . 0.0 110.337 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.5 -27.57 46.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.54 -0.725 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 50.3 mtt -82.19 -27.68 32.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.572 -0.705 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -79.93 -28.16 39.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.563 -0.71 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -72.78 -28.05 62.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.412 -0.805 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -61.62 -54.54 41.59 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.516 -0.74 . . . . 0.0 110.247 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.85 -31.89 72.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.62 -0.675 . . . . 0.0 110.356 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -64.91 -28.11 69.31 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.563 -0.711 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.95 -28.41 14.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.62 -0.675 . . . . 0.0 110.351 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -79.32 -27.45 42.1 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.608 -0.682 . . . . 0.0 110.345 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.6 t80 . . . . . 0 N--CA 1.497 1.899 0 O-C-N 121.53 -0.731 . . . . 0.0 110.283 -179.969 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mttp . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.083 0.468 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 mmt -103.83 -166.34 1.25 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.547 -0.721 . . . . 0.0 110.086 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.529 ' H ' ' HB3' ' A' ' 17' ' ' ALA . 3.4 t -157.45 179.24 9.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.583 -0.698 . . . . 0.0 110.124 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.6 p -58.76 -27.59 65.11 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.586 -0.696 . . . . 0.0 110.482 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -79.25 -28.94 42.41 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.641 -0.662 . . . . 0.0 110.216 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.529 ' HB3' ' H ' ' A' ' 14' ' ' SER . . . -80.08 -36.8 34.99 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.587 -0.695 . . . . 0.0 110.276 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -70.27 -29.25 65.98 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.502 -0.749 . . . . 0.0 110.071 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -62.87 -45.5 92.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.576 -0.702 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -76.99 -34.04 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.527 -0.733 . . . . 0.0 109.918 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -67.99 -37.44 81.48 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.59 -0.694 . . . . 0.0 110.117 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.1 m -81.34 -28.72 34.39 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.604 -0.685 . . . . 0.0 110.145 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.7 m -79.57 -25.43 41.6 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.582 -0.699 . . . . 0.0 110.375 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -75.6 -46.94 28.85 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.549 -0.72 . . . . 0.0 109.977 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -59.47 -26.91 65.64 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.545 -0.722 . . . . 0.0 110.43 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -87.96 -24.75 23.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.588 -0.695 . . . . 0.0 110.342 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -66.73 -46.75 74.46 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.419 -0.801 . . . . 0.0 110.191 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -61.31 -30.08 70.27 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.59 -0.694 . . . . 0.0 110.496 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -60.8 -27.09 67.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.574 -0.704 . . . . 0.0 110.41 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -125.98 17.87 7.87 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.478 -0.764 . . . . 0.0 111.02 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 79.7 m-70 -145.22 74.51 14.17 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.311 -0.868 . . . . 0.0 110.109 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.9 -38.67 2.8 Favored 'Trans proline' 0 C--N 1.316 -1.154 0 O-C-N 123.321 1.169 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.66 48.75 0.9 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.564 -0.71 . . . . 0.0 110.224 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.67 106.84 0.98 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.512 -0.743 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.707 ' O ' HG13 ' A' ' 36' ' ' VAL . 58.2 m -74.22 -168.52 0.65 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.579 -0.701 . . . . 0.0 110.191 179.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -168.11 91.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.634 -0.666 . . . . 0.0 110.798 -179.433 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -63.64 144.69 56.81 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.18 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -53.73 -36.27 62.11 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.108 -0.995 . . . . 0.0 110.658 -178.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.26 -44.05 48.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.237 -0.914 . . . . 0.0 109.944 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.4 -16.51 60.72 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.709 178.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -109.64 -48.88 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.345 -0.847 . . . . 0.0 111.303 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.3 p -53.65 -25.91 20.01 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.205 -0.934 . . . . 0.0 110.374 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -33.34 64.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.61 -0.681 . . . . 0.0 109.459 179.19 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -82.32 -34.62 28.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.724 -0.61 . . . . 0.0 109.889 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.2 m -61.94 -29.65 70.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.688 -0.632 . . . . 0.0 109.938 179.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.5 p -61.53 -35.26 77.25 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.603 -0.686 . . . . 0.0 109.945 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -63.76 -31.37 72.52 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.629 -0.669 . . . . 0.0 109.732 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' HA ' ' HG1' ' A' ' 51' ' ' THR . 1.1 ttt-85 -92.08 -33.96 14.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.668 -0.645 . . . . 0.0 109.983 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.431 ' CH2' ' HG2' ' A' ' 57' ' ' LYS . 72.6 t-105 -68.61 -36.93 79.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.678 -0.639 . . . . 0.0 109.976 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -27.77 54.39 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.698 -0.626 . . . . 0.0 110.276 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.413 ' HG1' ' HA ' ' A' ' 48' ' ' ARG . 43.0 p -87.09 -26.32 23.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.576 -0.703 . . . . 0.0 110.449 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.3 mtp -59.46 158.78 9.05 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.505 -0.747 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.8 m -101.86 -172.62 2.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.495 -0.753 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.77 -11.72 60.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.524 -0.735 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -73.21 -30.33 63.44 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.179 -0.95 . . . . 0.0 109.882 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -101.64 -39.9 7.25 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.678 -0.639 . . . . 0.0 109.963 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 11.5 mtpp -66.25 -25.73 67.02 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.671 -0.643 . . . . 0.0 110.266 179.827 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.6 p -62.81 -40.59 97.84 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.427 -0.796 . . . . 0.0 110.347 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -62.3 -37.77 86.82 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.576 -0.702 . . . . 0.0 110.266 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -74.61 -31.33 61.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.513 -0.742 . . . . 0.0 110.132 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -82.93 -28.53 29.82 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.567 -0.708 . . . . 0.0 110.184 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.87 -28.3 64.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.504 -0.747 . . . . 0.0 110.207 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.8 mtp -83.92 -28.58 27.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.563 -0.711 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.92 -38.77 64.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.512 -0.743 . . . . 0.0 110.215 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -66.66 -28.67 68.65 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.512 -0.742 . . . . 0.0 110.172 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.6 t -63.9 -38.33 90.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.632 -0.667 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -92.02 -28.42 17.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.594 -0.691 . . . . 0.0 110.303 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -68.32 -28.32 67.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.55 -0.719 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.27 64.79 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.538 -0.726 . . . . 0.0 110.202 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -62.03 -28.38 69.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.47 -0.769 . . . . 0.0 110.249 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.577 -0.702 . . . . 0.0 110.252 -179.993 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 mttt . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.046 0.451 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.99 -168.76 1.97 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.613 -0.679 . . . . 0.0 110.12 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.452 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.9 t -156.54 -179.01 7.77 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.582 -0.699 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -76.71 -28.72 55.95 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.583 -0.698 . . . . 0.0 110.115 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -77.07 -28.78 54.76 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.633 -0.667 . . . . 0.0 110.138 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.38 -30.52 42.56 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.615 -0.678 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -73.84 -29.54 62.18 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.601 -0.687 . . . . 0.0 109.972 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.457 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 27.3 t80 -61.93 -55.2 32.04 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.662 -0.648 . . . . 0.0 110.082 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.73 -29.69 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.545 -0.722 . . . . 0.0 109.677 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.63 -50.86 61.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.59 -0.693 . . . . 0.0 109.746 179.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 56.6 m -69.82 -33.25 72.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.576 -0.703 . . . . 0.0 109.764 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 70.5 m -75.55 -29.55 59.42 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.665 -0.647 . . . . 0.0 109.749 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -66.88 -46.55 74.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.603 -0.686 . . . . 0.0 109.805 179.542 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -60.97 -32.02 71.59 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.557 -0.714 . . . . 0.0 109.472 179.297 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -72.02 -13.54 61.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.736 -0.602 . . . . 0.0 110.255 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.447 ' HA ' ' ND1' ' A' ' 31' ' ' HIS . 72.6 t60 -95.01 26.19 3.78 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.369 -0.832 . . . . 0.0 109.974 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -112.33 29.15 8.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.149 -0.97 . . . . 0.0 110.293 179.381 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -122.03 -82.21 0.65 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.438 -0.789 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -93.26 49.56 1.42 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.146 -0.971 . . . . 0.0 109.759 179.599 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.48 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 32.5 m80 -142.11 53.32 3.03 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.62 -0.675 . . . . 0.0 109.861 -179.419 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.6 Cg_endo -73.23 -49.03 0.24 Allowed 'Trans proline' 0 C--N 1.318 -1.035 0 O-C-N 123.268 1.141 . . . . 0.0 110.51 -179.674 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -97.16 36.24 1.47 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.616 -0.677 . . . . 0.0 110.202 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.9 m -141.86 86.09 1.97 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.585 -0.697 . . . . 0.0 110.218 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' HG13 ' A' ' 36' ' ' VAL . 20.7 m -71.93 171.85 11.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.59 -0.694 . . . . 0.0 110.131 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 36' ' ' VAL . 34.8 m -146.21 105.79 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.561 -179.357 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -92.08 50.12 1.62 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.442 -0.786 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 67.33 -57.83 0.43 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.687 -0.633 . . . . 0.0 110.712 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.57 85.35 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.834 -1.166 . . . . 0.0 110.775 -179.773 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -59.97 -18.01 42.45 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.477 -0.764 . . . . 0.0 110.403 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 23' ' ' SER . 14.0 t80 -112.09 -47.44 3.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.376 -0.828 . . . . 0.0 110.772 -179.682 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -54.47 -25.59 26.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.61 -0.681 . . . . 0.0 110.312 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -69.06 -29.8 68.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.633 -0.667 . . . . 0.0 109.617 179.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.65 -44.67 9.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.718 -0.614 . . . . 0.0 110.141 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.6 m -61.55 -29.16 69.83 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.61 -0.681 . . . . 0.0 110.033 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.5 p -66.44 -33.94 76.82 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.498 -0.751 . . . . 0.0 109.919 179.582 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -66.71 -34.4 77.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.685 -0.634 . . . . 0.0 109.849 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -89.06 -36.96 15.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.581 -0.7 . . . . 0.0 110.009 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.457 ' CE3' ' CD1' ' A' ' 19' ' ' PHE . 63.0 t-105 -63.04 -47.3 83.6 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.594 -0.691 . . . . 0.0 109.957 179.76 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -65.7 -28.33 68.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.572 -0.705 . . . . 0.0 110.214 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -95.9 -8.79 33.03 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.489 -0.757 . . . . 0.0 111.077 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.499 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 2.5 mmm -58.33 163.74 2.86 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.101 -0.999 . . . . 0.0 110.411 -179.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -93.81 168.09 11.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.624 -0.673 . . . . 0.0 110.32 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -23.68 65.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.577 -0.702 . . . . 0.0 110.444 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -69.21 -30.94 69.22 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.452 -0.78 . . . . 0.0 109.91 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 25.0 mt-10 -95.05 -40.41 9.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.773 -0.579 . . . . 0.0 109.976 179.828 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -67.25 -21.23 65.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.69 -0.632 . . . . 0.0 110.438 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 p -78.1 -30.15 49.36 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.357 -0.84 . . . . 0.0 110.369 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -65.08 -28.96 69.82 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.599 -0.688 . . . . 0.0 110.258 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -86.22 -28.88 23.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.653 -0.654 . . . . 0.0 110.188 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -73.39 -29.34 62.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.663 -0.648 . . . . 0.0 110.187 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.5 -28.47 61.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.662 -0.648 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.2 mmt -83.36 -29.64 28.06 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.524 -0.735 . . . . 0.0 110.224 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.07 -37.35 46.77 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.525 -0.734 . . . . 0.0 110.214 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -66.1 -30.11 70.55 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.574 -0.704 . . . . 0.0 110.107 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.1 t -62.87 -35.01 78.58 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.56 -0.713 . . . . 0.0 110.073 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -86.08 -38.74 17.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.579 -0.701 . . . . 0.0 110.171 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -30.27 70.97 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.572 -0.705 . . . . 0.0 110.149 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.35 -27.83 25.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.589 -0.695 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -95.76 23.49 6.19 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.525 -0.734 . . . . 0.0 110.564 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.5 t80 . . . . . 0 N--CA 1.494 1.766 0 O-C-N 121.37 -0.831 . . . . 0.0 110.444 179.895 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.2 mttp . . . . . 0 N--CA 1.503 2.188 0 CA-C-O 121.046 0.45 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.433 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 38.1 mtp -134.69 122.61 22.45 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.551 -0.718 . . . . 0.0 110.127 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -96.58 179.27 5.06 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.566 -0.709 . . . . 0.0 110.207 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.5 p -69.9 -28.72 65.85 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.637 -0.664 . . . . 0.0 110.213 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -72.21 -28.91 63.48 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.536 -0.727 . . . . 0.0 110.176 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.05 -30.08 58.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.521 -0.737 . . . . 0.0 110.143 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 15.4 m-85 -79.25 -28.66 42.43 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.561 -0.712 . . . . 0.0 110.178 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.06 -50.8 66.98 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.618 -0.676 . . . . 0.0 110.13 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.0 t -72.73 -35.54 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.563 -0.71 . . . . 0.0 109.966 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -66.51 -45.86 78.13 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.454 -0.779 . . . . 0.0 110.129 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.7 m -70.85 -28.96 64.97 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.566 -0.709 . . . . 0.0 110.113 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.411 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 49.5 m -87.51 4.22 44.35 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.621 -0.674 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.29 -45.58 8.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.184 -0.948 . . . . 0.0 109.939 179.837 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.66 -37.9 83.09 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.615 -0.678 . . . . 0.0 109.796 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 23' ' ' SER . 6.2 pt-20 -67.73 -23.84 65.3 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.682 -0.636 . . . . 0.0 110.239 179.534 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.91 -27.75 64.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.509 -0.744 . . . . 0.0 110.122 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -82.19 4.72 22.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.473 -0.767 . . . . 0.0 111.268 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -100.44 -17.0 17.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.093 -1.005 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -135.58 22.97 3.4 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.277 -0.889 . . . . 0.0 111.049 -179.667 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 82.7 m-70 -145.73 84.98 7.97 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.324 -0.86 . . . . 0.0 110.354 179.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.77 -29.24 10.72 Favored 'Trans proline' 0 C--N 1.316 -1.181 0 O-C-N 123.503 1.265 . . . . 0.0 110.395 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -124.1 54.06 1.37 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.549 -0.72 . . . . 0.0 110.443 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.7 97.47 2.37 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.526 -0.734 . . . . 0.0 110.191 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.446 ' C ' HG13 ' A' ' 36' ' ' VAL . 22.7 t -82.72 170.95 14.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.611 -0.68 . . . . 0.0 110.66 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 36' ' ' VAL . 35.9 m -147.52 107.39 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-O 121.251 0.548 . . . . 0.0 110.338 -179.415 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -88.67 53.3 2.67 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.411 -0.806 . . . . 0.0 110.224 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 64.45 -61.58 0.19 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 122.063 -0.398 . . . . 0.0 111.493 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.17 89.72 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.005 -1.06 . . . . 0.0 111.154 -179.03 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.24 -15.24 59.67 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.316 -0.865 . . . . 0.0 110.432 179.639 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -117.62 -45.85 2.68 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 0.0 110.439 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.4 p -55.87 -24.73 38.79 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.602 -0.686 . . . . 0.0 110.092 179.225 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -67.98 -29.8 68.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.576 -0.703 . . . . 0.0 109.694 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -88.74 -38.3 14.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.73 -0.606 . . . . 0.0 110.225 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.9 m -63.42 -29.62 70.89 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.546 -0.721 . . . . 0.0 110.005 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -67.08 -34.85 78.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.546 -0.721 . . . . 0.0 109.897 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -66.01 -33.29 75.47 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.563 -0.71 . . . . 0.0 109.87 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -88.34 -38.68 14.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.623 -0.673 . . . . 0.0 110.017 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -61.88 -52.41 64.22 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.603 -0.685 . . . . 0.0 110.037 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -62.83 -26.06 68.57 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.579 -0.701 . . . . 0.0 110.523 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.3 p -95.13 -14.44 24.18 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.525 -0.735 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mmm -56.47 162.74 2.03 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.154 -0.966 . . . . 0.0 110.582 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -91.17 176.0 6.74 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.536 -0.728 . . . . 0.0 110.45 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.09 -24.72 60.69 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.662 -0.649 . . . . 0.0 110.359 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -68.18 -31.88 71.73 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.495 -0.753 . . . . 0.0 109.759 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -92.82 -39.22 11.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.673 -0.642 . . . . 0.0 109.92 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -63.25 -22.8 67.1 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.69 -0.631 . . . . 0.0 110.328 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.0 p -77.88 -30.87 50.99 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.411 -0.805 . . . . 0.0 110.281 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -62.42 -29.71 70.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.525 -0.734 . . . . 0.0 110.201 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -89.74 -28.92 19.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.555 -0.716 . . . . 0.0 110.204 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.23 -28.85 47.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.517 -0.74 . . . . 0.0 110.208 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.53 -29.02 63.22 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.556 -0.715 . . . . 0.0 110.164 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 49.1 mmm -82.75 -29.7 29.53 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.581 -0.699 . . . . 0.0 110.144 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.64 -33.7 31.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.475 -0.766 . . . . 0.0 110.071 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -66.37 -33.95 76.88 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.566 -0.709 . . . . 0.0 110.092 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.6 t -69.73 -30.55 68.19 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.601 -0.687 . . . . 0.0 110.109 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.93 -35.06 29.52 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.598 -0.689 . . . . 0.0 110.114 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -40.26 87.86 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.622 -0.674 . . . . 0.0 110.329 179.914 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.26 -44.91 62.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.573 -0.704 . . . . 0.0 109.938 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -65.55 -14.16 60.49 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.681 -0.637 . . . . 0.0 110.617 179.672 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.21 -0.931 . . . . 0.0 110.562 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.227 0.536 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.6 mtm 53.88 -177.32 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.466 -0.771 . . . . 0.0 110.709 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.449 ' H ' ' HB3' ' A' ' 17' ' ' ALA . 6.5 t -146.48 -179.56 6.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.628 -0.67 . . . . 0.0 110.207 -179.852 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.3 p -59.48 -29.16 67.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.562 -0.711 . . . . 0.0 110.435 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -75.82 -40.94 54.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.48 -0.763 . . . . 0.0 110.101 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB3' ' H ' ' A' ' 14' ' ' SER . . . -68.27 -34.43 76.17 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.541 -0.724 . . . . 0.0 110.007 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -73.7 -29.01 62.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.616 -0.678 . . . . 0.0 110.02 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -61.73 -55.61 28.46 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.569 -0.707 . . . . 0.0 110.079 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.78 -31.09 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.522 -0.736 . . . . 0.0 109.57 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -68.89 -47.47 65.78 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.599 -0.688 . . . . 0.0 109.792 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 m -77.78 -31.71 52.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.675 -0.64 . . . . 0.0 109.74 179.568 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.5 m -70.49 -31.08 68.05 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.608 -0.683 . . . . 0.0 109.822 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -69.93 -42.86 72.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.661 -0.65 . . . . 0.0 109.535 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -63.19 -36.25 83.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.659 -0.65 . . . . 0.0 109.288 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.76 -21.57 66.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.727 -0.608 . . . . 0.0 109.869 179.049 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 63.7 t60 -95.07 34.91 1.32 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.437 -0.789 . . . . 0.0 109.939 179.614 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -120.04 27.16 8.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.083 -1.011 . . . . 0.0 110.408 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.66 -80.61 0.63 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.477 -0.764 . . . . 0.0 110.193 179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -93.39 51.27 1.59 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.284 -0.885 . . . . 0.0 109.846 179.633 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 32.2 m80 -143.15 53.35 2.56 Favored Pre-proline 0 N--CA 1.494 1.737 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.875 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 47.4 Cg_endo -72.86 -49.23 0.25 Allowed 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.285 1.15 . . . . 0.0 110.563 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -87.86 -27.51 22.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.643 -0.661 . . . . 0.0 110.408 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.1 t -76.96 85.52 3.49 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.545 -0.722 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.426 ' C ' HG13 ' A' ' 36' ' ' VAL . 14.4 t -72.5 175.09 6.58 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.523 -0.736 . . . . 0.0 110.195 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 36' ' ' VAL . 29.1 m -146.62 79.95 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.749 -179.245 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 39' ' ' ALA . 4.3 p-10 -71.98 63.6 0.49 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.437 -0.789 . . . . 0.0 110.184 179.561 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 56.86 -81.21 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.766 -0.584 . . . . 0.0 111.565 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -44.12 -45.91 8.41 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.329 -0.857 . . . . 0.0 112.826 -178.521 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -20.89 51.12 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.262 -0.899 . . . . 0.0 110.14 179.522 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -110.27 -39.57 4.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.462 -0.774 . . . . 0.0 109.928 179.396 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 p -56.85 -23.46 44.37 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.408 0.623 . . . . 0.0 109.971 179.304 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -88.91 -27.65 20.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.606 -0.684 . . . . 0.0 110.266 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -85.05 -37.45 20.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.566 -0.708 . . . . 0.0 110.778 -179.62 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.7 p -58.83 -30.11 67.41 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.382 -0.824 . . . . 0.0 110.305 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.5 p -69.49 -40.1 77.24 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.59 -0.694 . . . . 0.0 109.956 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 51' ' ' THR . 5.4 mm-40 -63.99 -32.77 74.43 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.519 -0.738 . . . . 0.0 109.799 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -83.57 -39.66 20.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.585 -0.697 . . . . 0.0 110.046 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -69.49 -36.45 76.53 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.623 -0.673 . . . . 0.0 109.953 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -71.77 -29.45 64.5 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.61 -0.681 . . . . 0.0 110.006 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 47' ' ' GLU . 22.7 p -83.46 -27.31 29.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.613 -0.679 . . . . 0.0 110.235 179.904 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.6 mmm -59.73 147.44 37.77 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.48 -0.763 . . . . 0.0 110.271 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.1 m -100.03 -177.48 3.55 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.615 -0.678 . . . . 0.0 110.297 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.54 -22.69 64.49 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.6 -0.687 . . . . 0.0 110.631 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -69.17 -30.29 68.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.438 -0.789 . . . . 0.0 109.92 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -99.39 -42.36 7.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.718 -0.614 . . . . 0.0 109.96 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -63.24 -22.45 66.88 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.668 -0.645 . . . . 0.0 110.449 179.758 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.1 p -60.97 -29.93 69.96 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.512 -0.743 . . . . 0.0 110.331 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -65.88 -29.25 69.66 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.565 -0.709 . . . . 0.0 110.162 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -92.39 -28.48 16.86 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.579 -0.701 . . . . 0.0 110.206 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -71.98 -29.32 64.12 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.538 -0.726 . . . . 0.0 110.161 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -78.47 -27.98 46.41 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.641 -0.662 . . . . 0.0 110.245 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 96.1 mtp -77.94 -28.61 49.64 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.551 -0.718 . . . . 0.0 110.229 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.38 -29.09 37.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.508 -0.745 . . . . 0.0 110.211 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -77.26 -29.18 53.81 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.562 -0.711 . . . . 0.0 110.206 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -63.58 -36.02 82.41 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.626 -0.671 . . . . 0.0 110.129 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -82.23 -36.37 27.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.61 -0.681 . . . . 0.0 110.158 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.74 -29.96 70.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.587 -0.696 . . . . 0.0 110.174 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.53 -30.01 19.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.571 -0.705 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -77.65 -29.12 51.49 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.504 -0.747 . . . . 0.0 110.228 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.5 t80 . . . . . 0 N--CA 1.496 1.853 0 O-C-N 121.473 -0.767 . . . . 0.0 110.286 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.121 0.486 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.5 90.99 0.11 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -103.19 -67.63 0.87 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.543 -0.975 . . . . 0.0 110.179 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.82 124.04 8.38 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.24 159.35 63.0 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.58 -0.953 . . . . 0.0 110.322 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -73.29 -43.0 0.77 Allowed 'Trans proline' 0 C--N 1.316 -1.18 0 O-C-N 123.408 1.214 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.28 -40.52 2.25 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.072 0.463 . . . . 0.0 110.238 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -61.31 161.92 16.29 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.536 -0.728 . . . . 0.0 110.12 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.68 -176.31 2.24 Favored 'Trans proline' 0 C--N 1.317 -1.081 0 O-C-N 123.374 1.197 . . . . 0.0 110.462 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -97.84 179.34 4.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.614 -0.679 . . . . 0.0 110.234 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.58 -162.96 4.52 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -104.43 -167.93 1.42 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.568 -0.96 . . . . 0.0 110.244 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.19 -159.46 0.72 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.53 -0.731 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.7 t -161.86 177.86 9.46 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.579 -0.701 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.1 p -77.31 -28.87 53.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.64 -0.662 . . . . 0.0 110.132 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.63 -29.99 70.16 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.627 -0.67 . . . . 0.0 110.113 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.87 -38.16 46.58 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.59 -0.693 . . . . 0.0 110.021 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.51 -28.46 67.85 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.606 -0.684 . . . . 0.0 110.116 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.94 -53.33 58.57 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.559 -0.713 . . . . 0.0 110.057 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.7 -29.54 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.607 -0.683 . . . . 0.0 109.765 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -72.42 -35.3 68.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.558 -0.713 . . . . 0.0 109.952 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.4 m -85.23 -32.28 22.71 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.613 -0.679 . . . . 0.0 110.082 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.9 m -75.01 -30.49 61.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.604 -0.685 . . . . 0.0 109.992 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -35.69 63.58 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.621 -0.674 . . . . 0.0 109.985 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.92 -27.19 68.0 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.569 -0.707 . . . . 0.0 110.163 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -95.18 24.2 5.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.52 -0.738 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 27.4 t60 -105.04 -43.73 4.97 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.42 -0.8 . . . . 0.0 110.106 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -58.54 -25.14 62.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -59.1 -27.08 65.24 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.478 -0.764 . . . . 0.0 110.445 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -138.23 23.71 2.76 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.57 -0.706 . . . . 0.0 110.68 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 83.6 m-70 -146.15 68.61 12.63 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.432 -0.792 . . . . 0.0 109.984 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.77 -44.93 0.57 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.295 1.155 . . . . 0.0 110.401 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -107.38 65.29 0.65 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.637 -0.665 . . . . 0.0 110.217 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 m -148.58 130.69 15.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.601 -0.687 . . . . 0.0 110.241 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.0 p -89.41 102.52 15.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.505 -0.747 . . . . 0.0 110.094 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.6 p -106.21 74.81 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.582 -0.699 . . . . 0.0 110.338 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -58.92 -176.06 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.508 -0.745 . . . . 0.0 109.925 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -72.92 -45.3 58.92 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.434 -0.791 . . . . 0.0 110.188 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.13 -40.91 71.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.281 -0.887 . . . . 0.0 110.585 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.82 -16.69 59.33 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.04 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -113.71 -45.95 3.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.33 -0.856 . . . . 0.0 110.799 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.4 p -56.15 -23.84 37.3 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.498 -0.751 . . . . 0.0 110.196 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -72.46 -34.77 67.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.555 -0.715 . . . . 0.0 109.626 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -82.77 -41.81 18.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.653 -0.654 . . . . 0.0 110.061 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 44.0 m -61.68 -29.48 70.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.513 -0.742 . . . . 0.0 109.959 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.2 p -67.77 -32.82 73.67 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.516 -0.74 . . . . 0.0 109.805 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.49 -32.3 73.03 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.613 -0.679 . . . . 0.0 109.858 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -43.27 12.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.574 -0.704 . . . . 0.0 109.762 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -61.61 -36.79 81.74 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.633 -0.667 . . . . 0.0 109.857 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -71.72 -28.67 63.84 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.617 -0.677 . . . . 0.0 110.145 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.4 p -93.98 -20.09 20.3 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.554 -0.716 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.3 mmm -56.16 155.05 7.03 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.351 -0.843 . . . . 0.0 110.494 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.3 p -103.75 -178.5 3.68 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.665 -0.647 . . . . 0.0 110.299 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.92 -22.13 63.22 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.53 -0.731 . . . . 0.0 110.689 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -68.23 -30.52 69.6 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.376 -0.827 . . . . 0.0 109.798 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -100.17 -43.65 6.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.644 -0.66 . . . . 0.0 109.934 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -62.4 -23.05 66.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.667 -0.646 . . . . 0.0 110.313 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.4 p -60.16 -30.05 69.07 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.432 -0.792 . . . . 0.0 110.4 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -66.76 -28.96 68.82 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.493 -0.754 . . . . 0.0 110.245 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -92.84 -28.58 16.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.71 . . . . 0.0 110.305 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.05 -28.59 62.41 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.523 -0.736 . . . . 0.0 110.257 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.49 -28.34 46.38 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.593 -0.692 . . . . 0.0 110.253 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.2 mmt -82.19 -28.36 32.07 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.58 -0.7 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.37 -41.76 46.93 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.617 -0.677 . . . . 0.0 110.18 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -68.47 -28.55 67.14 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.608 -0.682 . . . . 0.0 110.207 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.6 t -61.01 -38.75 87.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.549 -0.719 . . . . 0.0 110.125 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -90.59 -29.1 18.02 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.587 -0.695 . . . . 0.0 110.162 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -63.6 -34.2 77.29 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.528 -0.732 . . . . 0.0 110.17 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.54 -28.65 41.28 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.578 -0.701 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.26 -28.45 69.72 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.558 -0.714 . . . . 0.0 110.225 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -70.25 -28.92 65.62 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.505 -0.747 . . . . 0.0 110.188 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.57 -30.56 70.22 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.53 -0.731 . . . . 0.0 110.142 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -100.61 42.23 1.13 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.663 -0.648 . . . . 0.0 110.208 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -126.92 -56.26 1.36 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.59 -0.694 . . . . 0.0 110.183 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.8 mmt -100.81 -34.32 9.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.515 -0.74 . . . . 0.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -92.22 155.25 18.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.566 -0.709 . . . . 0.0 110.223 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.0 t30 . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.815 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptt? . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 121.067 0.461 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.42 50.69 0.13 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -102.34 176.35 5.21 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.55 -0.97 . . . . 0.0 110.092 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.29 148.28 45.48 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.17 165.96 11.91 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.51 -0.994 . . . . 0.0 110.155 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.53 -43.36 0.67 Allowed 'Trans proline' 0 C--N 1.317 -1.104 0 O-C-N 123.512 1.27 . . . . 0.0 110.131 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.22 44.19 2.73 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.163 0.506 . . . . 0.0 110.285 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -157.81 151.51 19.38 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.544 -0.722 . . . . 0.0 110.313 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.58 -165.63 0.24 Allowed 'Trans proline' 0 C--N 1.317 -1.127 0 O-C-N 123.487 1.256 . . . . 0.0 110.441 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -79.42 -169.05 1.74 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.56 -0.713 . . . . 0.0 110.154 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.65 42.28 1.97 Allowed Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? 52.88 -167.26 0.06 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.455 -1.027 . . . . 0.0 110.709 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.8 mtp -129.36 -169.58 2.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.602 -0.686 . . . . 0.0 110.254 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t -155.25 168.3 27.5 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.571 -0.705 . . . . 0.0 110.164 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.1 p -70.27 -28.27 65.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.599 -0.688 . . . . 0.0 110.183 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.26 -28.98 62.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.584 -0.698 . . . . 0.0 110.194 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.6 -38.67 39.42 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.552 -0.718 . . . . 0.0 110.12 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.08 -29.42 66.4 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.549 -0.719 . . . . 0.0 110.005 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.81 -57.63 11.11 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.59 -0.694 . . . . 0.0 110.049 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.3 t -66.51 -30.05 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.618 -0.677 . . . . 0.0 109.847 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -69.35 -32.24 71.18 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.555 -0.716 . . . . 0.0 110.143 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.4 m -93.93 -28.73 15.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.668 -0.645 . . . . 0.0 110.155 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.6 m -79.76 -27.4 40.47 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.56 -0.713 . . . . 0.0 110.396 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -40.83 72.63 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.529 -0.732 . . . . 0.0 110.012 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.93 -42.43 81.03 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.616 -0.678 . . . . 0.0 110.002 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.47 -23.49 64.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.636 -0.665 . . . . 0.0 110.372 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -77.79 -47.42 18.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.502 -0.749 . . . . 0.0 110.218 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -62.38 -28.9 70.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.549 -0.719 . . . . 0.0 110.28 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -61.17 -20.95 63.33 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.588 -0.695 . . . . 0.0 110.779 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HG3' ' NE2' ' A' ' 31' ' ' HIS . 2.7 ptmt -133.6 21.24 3.93 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.349 -0.844 . . . . 0.0 110.823 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 30' ' ' LYS . 75.3 m-70 -145.63 64.53 10.52 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.449 -0.782 . . . . 0.0 110.143 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -73.7 -29.89 10.17 Favored 'Trans proline' 0 C--N 1.317 -1.084 0 O-C-N 123.275 1.145 . . . . 0.0 110.427 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -83.54 -28.33 28.68 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.569 -0.707 . . . . 0.0 110.377 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -93.64 -169.74 2.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.489 -0.757 . . . . 0.0 110.291 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -143.44 -177.92 5.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.644 -0.66 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.8 p -167.77 103.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.604 -0.685 . . . . 0.0 110.567 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -81.25 -164.93 0.83 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.448 -0.783 . . . . 0.0 109.389 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -84.36 -51.51 6.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.319 -0.863 . . . . 0.0 109.975 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.87 75.52 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.325 -0.86 . . . . 0.0 110.729 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.74 -16.71 58.85 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 119.699 -0.8 . . . . 0.0 110.17 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -114.48 -45.29 3.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.882 . . . . 0.0 110.809 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -56.06 -23.4 33.32 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.467 -0.771 . . . . 0.0 110.079 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -74.35 -30.66 62.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.538 -0.726 . . . . 0.0 109.623 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -89.55 -32.86 16.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.668 -0.645 . . . . 0.0 110.124 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.2 m -61.33 -29.39 69.86 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.476 -0.765 . . . . 0.0 110.007 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.0 p -65.54 -34.79 79.08 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.564 -0.71 . . . . 0.0 109.865 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -63.41 -29.26 70.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.633 -0.667 . . . . 0.0 109.955 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -94.58 -32.75 13.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.518 -0.738 . . . . 0.0 110.086 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -67.75 -41.46 83.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.629 -0.67 . . . . 0.0 110.169 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -76.5 -26.49 55.33 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.492 -0.755 . . . . 0.0 110.544 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.1 p -91.46 -22.58 20.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.487 -0.758 . . . . 0.0 110.629 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.6 mtp -58.07 168.42 1.01 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.334 -0.854 . . . . 0.0 110.403 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.0 m -106.94 -176.77 3.17 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.575 -0.703 . . . . 0.0 110.355 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.28 61.95 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.691 -0.631 . . . . 0.0 110.678 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.79 -30.45 69.89 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.357 -0.839 . . . . 0.0 109.793 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.59 -42.07 7.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.763 -0.586 . . . . 0.0 109.808 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -65.4 -21.37 66.66 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.703 -0.623 . . . . 0.0 110.48 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 p -69.54 -30.93 68.86 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.325 -0.859 . . . . 0.0 110.342 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -67.57 -28.86 68.13 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.495 -0.753 . . . . 0.0 110.21 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -89.96 -28.45 19.13 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.657 -0.652 . . . . 0.0 110.378 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -75.02 -28.29 60.42 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.574 -0.704 . . . . 0.0 110.323 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.34 -28.04 52.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.551 -0.718 . . . . 0.0 110.336 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.6 mmt -76.23 -29.69 57.65 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.706 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.65 -35.21 27.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.626 -0.671 . . . . 0.0 110.195 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -69.62 -28.88 66.29 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.595 -0.691 . . . . 0.0 110.213 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 t -62.5 -43.55 98.54 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.581 -0.699 . . . . 0.0 110.09 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.44 -29.26 41.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.626 -0.671 . . . . 0.0 110.217 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -62.31 -28.17 69.55 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.598 -0.689 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.87 -28.48 32.95 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.593 -0.692 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -68.84 -28.76 67.02 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.479 -0.763 . . . . 0.0 110.219 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -69.57 -28.61 66.13 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.576 -0.703 . . . . 0.0 110.174 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.76 -34.38 77.76 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.53 -0.731 . . . . 0.0 110.143 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -104.86 37.75 2.08 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.604 -0.685 . . . . 0.0 110.255 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -118.27 -36.97 3.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.59 -0.694 . . . . 0.0 110.204 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 34.6 mtp -94.47 -28.74 15.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.618 -0.676 . . . . 0.0 110.209 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -81.25 171.48 14.79 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.575 -0.703 . . . . 0.0 110.217 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.234 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 ttt . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.106 0.479 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.88 108.86 0.39 Allowed Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -101.4 -44.35 5.65 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.527 -0.984 . . . . 0.0 110.265 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.21 143.23 31.61 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.434 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -174.77 -59.97 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 121.496 -1.003 . . . . 0.0 110.398 179.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.3 Cg_endo -72.64 -42.7 1.12 Allowed 'Trans proline' 0 N--CA 1.488 1.165 0 O-C-N 123.116 1.061 . . . . 0.0 110.226 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.67 -49.7 1.87 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.921 -0.487 . . . . 0.0 110.403 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -81.71 145.83 55.17 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.572 -0.705 . . . . 0.0 110.277 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.72 -171.96 0.98 Allowed 'Trans proline' 0 C--N 1.318 -1.075 0 O-C-N 123.309 1.163 . . . . 0.0 110.437 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 ttp85 -154.23 44.5 0.55 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.548 -0.72 . . . . 0.0 110.207 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.44 179.89 36.4 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -94.96 -168.97 1.9 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.651 -0.911 . . . . 0.0 110.148 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.13 -168.98 2.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.536 -0.727 . . . . 0.0 110.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -150.79 168.73 23.54 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.633 -0.667 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.6 p -70.07 -28.18 65.23 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.571 -0.706 . . . . 0.0 110.226 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.31 -29.17 64.71 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.525 -0.735 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.9 -37.67 39.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.578 -0.701 . . . . 0.0 110.135 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.96 -28.61 63.55 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.568 -0.707 . . . . 0.0 110.094 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 49' ' ' TRP . 49.8 t80 -61.6 -52.13 65.67 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.593 -0.692 . . . . 0.0 110.179 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.9 t -64.04 -28.38 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.575 -0.703 . . . . 0.0 110.01 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -74.28 -51.61 14.77 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.544 -0.723 . . . . 0.0 110.2 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -62.51 -28.6 69.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.499 -0.751 . . . . 0.0 110.144 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 m -80.6 -28.86 36.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.543 -0.723 . . . . 0.0 110.17 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -49.94 72.71 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.586 -0.696 . . . . 0.0 110.1 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.37 -38.61 87.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.613 -0.679 . . . . 0.0 110.064 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -70.85 -14.42 62.39 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.633 -0.667 . . . . 0.0 110.782 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.438 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 39.9 t60 -94.18 24.0 4.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.337 -0.852 . . . . 0.0 110.519 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -118.2 -36.11 3.66 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.29 -0.882 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -69.55 -37.06 76.89 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.629 -0.669 . . . . 0.0 110.23 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 24.9 pttt -96.22 14.62 23.49 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.561 -0.712 . . . . 0.0 111.003 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CD2' ' CE1' ' A' ' 27' ' ' HIS . 55.2 m-70 -144.48 89.15 6.95 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.257 -0.902 . . . . 0.0 109.946 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.51 -32.02 10.36 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 O-C-N 123.375 1.197 . . . . 0.0 110.679 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -144.82 83.66 1.71 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.523 -0.735 . . . . 0.0 110.305 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t -154.2 130.64 10.56 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.571 -0.705 . . . . 0.0 110.129 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -76.88 151.58 35.75 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.548 -0.72 . . . . 0.0 109.965 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -162.95 71.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.616 -0.677 . . . . 0.0 110.42 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -59.49 -168.5 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -78.53 -40.74 34.2 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.418 -0.801 . . . . 0.0 110.137 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.45 -45.93 57.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.262 -0.899 . . . . 0.0 110.506 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -60.98 -17.84 54.05 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.911 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -107.79 -48.26 3.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.318 -0.864 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.6 p -53.45 -24.72 13.61 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.41 -0.806 . . . . 0.0 110.333 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -30.78 69.64 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.518 -0.739 . . . . 0.0 109.448 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.19 -44.19 11.66 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.662 -0.649 . . . . 0.0 110.184 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.76 -28.62 68.86 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.549 -0.719 . . . . 0.0 110.04 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.3 p -70.31 -36.13 74.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.549 -0.719 . . . . 0.0 109.757 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.13 -34.49 73.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.575 -0.703 . . . . 0.0 109.716 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -81.39 -46.29 14.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.739 -0.6 . . . . 0.0 109.932 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.418 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 74.8 t-105 -61.39 -31.0 70.9 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.628 -0.67 . . . . 0.0 109.919 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -77.74 -28.39 50.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.602 -0.686 . . . . 0.0 110.134 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.7 p -96.91 -15.71 21.04 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.611 -0.68 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.1 mmm -56.02 160.49 2.78 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.225 -0.922 . . . . 0.0 110.604 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t -110.33 -178.28 3.46 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.538 -0.727 . . . . 0.0 110.345 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.3 -18.57 63.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.721 -0.612 . . . . 0.0 110.748 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -70.68 -29.74 66.13 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.306 -0.872 . . . . 0.0 109.955 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -102.62 -43.3 5.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.63 -0.669 . . . . 0.0 110.025 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 10.7 mtmm -62.17 -23.34 66.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.666 -0.646 . . . . 0.0 110.402 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.4 p -59.68 -28.7 67.51 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.343 -0.848 . . . . 0.0 110.376 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -77.29 -29.02 53.58 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.525 -0.735 . . . . 0.0 110.183 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -89.19 -28.17 20.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.508 -0.745 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -75.23 -28.51 59.95 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.532 -0.73 . . . . 0.0 110.257 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.03 -28.25 61.34 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.533 -0.729 . . . . 0.0 110.229 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 48.4 mmm -80.7 -28.36 36.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.564 -0.71 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.67 34.48 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.534 -0.729 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -78.45 -28.75 46.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.522 -0.736 . . . . 0.0 110.248 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.4 t -64.01 -46.58 83.88 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.589 -0.695 . . . . 0.0 110.224 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -72.9 -29.1 62.88 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -66.56 -32.86 74.48 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.568 -0.707 . . . . 0.0 110.196 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -96.13 -32.09 12.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.636 -0.665 . . . . 0.0 110.233 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -70.09 -24.21 63.18 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.561 -0.712 . . . . 0.0 110.443 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -58.59 -27.97 65.13 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.419 -0.801 . . . . 0.0 110.46 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -68.27 -31.25 70.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.579 -0.701 . . . . 0.0 110.11 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -108.39 38.29 2.27 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.554 -0.716 . . . . 0.0 110.171 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -133.1 -44.84 0.85 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.628 -0.67 . . . . 0.0 110.223 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.43 -38.79 16.98 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.593 -0.692 . . . . 0.0 110.22 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -94.62 153.62 17.76 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.658 -0.651 . . . . 0.0 110.208 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.5 t30 . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.223 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.6 ttm . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.05 0.452 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.26 51.31 0.44 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -157.6 93.15 1.26 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.572 -0.958 . . . . 0.0 110.244 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.75 158.2 52.99 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.415 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -74.35 -56.85 2.34 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.594 -0.945 . . . . 0.0 110.722 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 5' ' ' ASP . 53.9 Cg_endo -73.6 -44.14 0.55 Allowed 'Trans proline' 0 N--CA 1.487 1.131 0 O-C-N 123.227 1.119 . . . . 0.0 110.302 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.31 -158.96 0.86 Allowed 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 121.193 0.521 . . . . 0.0 109.654 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -136.74 61.74 37.73 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.649 -0.657 . . . . 0.0 110.165 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -74.08 173.4 14.16 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 O-C-N 123.384 1.202 . . . . 0.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -153.1 36.29 0.48 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.551 -0.718 . . . . 0.0 110.204 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.06 -166.65 43.94 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -121.99 -172.93 2.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.591 -0.946 . . . . 0.0 110.19 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.4 tpp -149.33 119.36 7.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.538 -0.726 . . . . 0.0 110.188 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.424 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.2 t -83.79 -179.27 7.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.622 -0.674 . . . . 0.0 110.17 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 p -74.16 -28.67 61.42 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.549 -0.719 . . . . 0.0 110.078 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -66.41 -29.33 69.46 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.535 -0.728 . . . . 0.0 110.162 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.4 69.38 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.665 -0.647 . . . . 0.0 110.051 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -78.6 -29.24 45.94 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.566 -0.709 . . . . 0.0 110.151 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -63.54 -52.4 61.29 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.574 -0.704 . . . . 0.0 110.104 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.47 -28.69 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.596 -0.69 . . . . 0.0 109.847 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -72.53 -38.21 68.11 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.544 -0.722 . . . . 0.0 110.104 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.1 m -83.48 -29.14 28.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.662 -0.649 . . . . 0.0 110.153 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 m -78.28 -28.64 47.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.579 -0.7 . . . . 0.0 110.218 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -73.91 -38.91 64.18 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.6 -0.687 . . . . 0.0 110.079 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.71 -52.02 66.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.526 -0.734 . . . . 0.0 110.013 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -60.53 -26.21 66.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.563 -0.711 . . . . 0.0 110.152 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -78.71 -35.64 44.62 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.545 -0.722 . . . . 0.0 109.903 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -77.25 63.63 2.51 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.608 -0.683 . . . . 0.0 109.883 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -168.25 -41.24 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.674 -0.641 . . . . 0.0 109.96 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 5.6 ptpt -107.84 23.58 14.25 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.613 -0.68 . . . . 0.0 110.586 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 74.4 m-70 -145.09 77.0 13.28 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.492 -0.755 . . . . 0.0 110.075 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.0 -50.36 0.2 Allowed 'Trans proline' 0 C--N 1.318 -1.038 0 O-C-N 123.296 1.156 . . . . 0.0 110.537 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.39 58.71 3.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.591 -0.693 . . . . 0.0 110.244 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -166.18 130.18 2.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 0.0 110.225 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.2 m -89.17 177.63 6.57 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.564 -0.71 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.7 p -167.52 69.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.497 -0.752 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -60.41 -173.14 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.539 -0.726 . . . . 0.0 109.657 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -73.08 -42.69 62.76 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.95 -41.89 67.25 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.298 -0.876 . . . . 0.0 110.581 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -62.58 -16.68 57.61 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.05 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -112.74 -44.69 3.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.929 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.6 p -57.41 -23.04 46.96 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.456 -0.778 . . . . 0.0 110.172 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -78.75 -30.67 45.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.541 -0.724 . . . . 0.0 109.781 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -85.15 -46.29 11.24 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.62 -0.675 . . . . 0.0 110.159 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.28 -28.51 69.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.55 -0.719 . . . . 0.0 110.085 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.1 p -68.42 -32.78 73.06 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.565 -0.709 . . . . 0.0 110.029 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -65.09 -35.16 80.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.59 -0.694 . . . . 0.0 109.951 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -88.03 -39.62 14.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.625 -0.672 . . . . 0.0 110.051 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.407 ' CH2' ' HB2' ' A' ' 57' ' ' LYS . 69.5 t-105 -60.51 -49.23 78.39 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.574 -0.704 . . . . 0.0 110.193 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -64.29 -26.19 68.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.59 -0.694 . . . . 0.0 110.487 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -93.36 -22.18 19.1 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.474 -0.766 . . . . 0.0 110.703 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.19 135.97 57.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.412 -0.805 . . . . 0.0 110.426 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.2 m -77.93 154.68 31.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.552 -0.717 . . . . 0.0 110.223 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 57' ' ' LYS . . . -49.8 -28.43 6.33 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.49 -0.756 . . . . 0.0 111.148 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -72.27 -25.66 61.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.512 -0.743 . . . . 0.0 110.098 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -91.29 -33.35 15.37 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.476 -0.765 . . . . 0.0 110.347 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 14.6 ptpt -95.9 26.92 3.81 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.451 -0.781 . . . . 0.0 110.503 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.7 p -82.54 -29.64 30.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.436 -0.79 . . . . 0.0 110.233 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -70.94 -29.62 65.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.595 -0.691 . . . . 0.0 110.122 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -86.76 -29.19 22.54 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.624 -0.673 . . . . 0.0 110.18 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.06 -29.66 55.24 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.62 -0.675 . . . . 0.0 110.134 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.99 -29.13 58.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.607 -0.683 . . . . 0.0 110.029 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.8 mmt -81.21 -29.17 34.61 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 110.124 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -79.67 -30.1 41.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.506 -0.746 . . . . 0.0 110.127 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -29.76 65.17 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.65 -0.657 . . . . 0.0 110.052 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -71.95 -30.97 65.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.541 -0.725 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -87.28 -29.59 21.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.603 -0.685 . . . . 0.0 110.105 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.72 -30.4 68.01 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.598 -0.689 . . . . 0.0 110.129 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.42 -28.07 21.14 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.574 -0.704 . . . . 0.0 110.353 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -60.86 -29.22 69.4 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.581 -0.699 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -65.38 -29.14 69.82 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.515 -0.741 . . . . 0.0 110.09 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -82.34 -28.65 31.46 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.622 -0.674 . . . . 0.0 110.165 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -81.37 -29.0 34.18 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.545 -0.722 . . . . 0.0 110.194 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -79.31 -29.65 42.49 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.602 -0.686 . . . . 0.0 110.166 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 57.0 mmm -86.63 -46.52 10.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.625 -0.672 . . . . 0.0 110.165 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -99.95 148.88 24.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.637 -0.665 . . . . 0.0 110.2 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.237 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.1 tpp . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.101 0.477 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.15 119.2 0.18 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -100.08 117.83 35.16 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.584 -0.951 . . . . 0.0 110.22 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.3 152.99 48.97 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.64 163.19 19.22 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.585 -0.95 . . . . 0.0 110.196 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.29 -42.83 0.82 Allowed 'Trans proline' 0 C--N 1.317 -1.123 0 O-C-N 123.389 1.205 . . . . 0.0 109.948 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.68 -40.88 2.03 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.064 0.459 . . . . 0.0 110.198 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -64.69 159.82 58.55 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.542 -0.724 . . . . 0.0 110.189 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.73 -173.67 1.26 Allowed 'Trans proline' 0 C--N 1.317 -1.106 0 O-C-N 123.498 1.262 . . . . 0.0 110.416 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -95.78 173.33 7.52 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.592 -0.692 . . . . 0.0 110.182 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.54 175.6 43.42 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 -169.22 1.63 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.561 -0.964 . . . . 0.0 110.203 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.95 -168.47 1.55 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.568 -0.708 . . . . 0.0 110.234 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.492 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 5.9 t -161.95 175.43 11.84 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.548 -0.72 . . . . 0.0 110.224 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.9 p -65.38 -28.94 69.62 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.601 -0.687 . . . . 0.0 110.231 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -77.86 -28.97 50.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.557 -0.714 . . . . 0.0 110.191 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.97 -29.34 39.54 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.581 -0.699 . . . . 0.0 110.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -80.85 -29.08 35.89 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.602 -0.686 . . . . 0.0 110.122 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.65 -48.44 77.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.655 -0.653 . . . . 0.0 110.133 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -71.96 -30.11 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.609 -0.682 . . . . 0.0 109.843 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -71.52 -33.19 68.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.585 -0.697 . . . . 0.0 110.052 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.8 m -87.3 -29.53 21.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.635 -0.666 . . . . 0.0 110.058 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -80.21 -32.05 38.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.602 -0.686 . . . . 0.0 110.129 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -69.84 -39.84 76.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.647 -0.658 . . . . 0.0 110.008 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.1 -54.63 38.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.649 -0.657 . . . . 0.0 110.016 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -61.08 -27.84 68.65 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.619 -0.675 . . . . 0.0 110.104 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -73.7 -24.83 59.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.576 -0.703 . . . . 0.0 110.329 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -91.65 18.68 7.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.444 -0.785 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -111.22 -20.31 12.37 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.343 -0.848 . . . . 0.0 110.427 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -134.84 25.81 3.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.417 -0.802 . . . . 0.0 110.634 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 86.1 m-70 -146.27 62.61 8.17 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 110.06 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.67 -28.78 13.65 Favored 'Trans proline' 0 C--N 1.317 -1.08 0 O-C-N 123.281 1.148 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -107.89 41.26 1.56 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.61 -0.681 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -137.73 135.07 36.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.557 -0.714 . . . . 0.0 110.2 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 m -89.75 140.22 29.8 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.584 -0.698 . . . . 0.0 110.212 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.6 p -144.55 69.23 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.619 -0.676 . . . . 0.0 110.237 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.21 177.1 0.14 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.459 -0.776 . . . . 0.0 109.793 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -64.75 -46.9 80.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.359 -0.838 . . . . 0.0 110.379 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.54 81.84 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.159 -0.963 . . . . 0.0 110.871 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.61 -12.6 60.79 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.586 -0.846 . . . . 0.0 110.273 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -117.81 -42.97 2.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.315 -0.866 . . . . 0.0 110.448 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.6 p -57.2 -22.16 38.75 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.637 -0.665 . . . . 0.0 109.941 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -83.65 -25.87 30.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.503 -0.748 . . . . 0.0 110.33 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -84.35 -42.64 15.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.435 -0.791 . . . . 0.0 110.912 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.1 p -57.95 -30.86 66.32 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.364 -0.835 . . . . 0.0 110.49 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 p -67.94 -39.05 83.53 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.585 -0.697 . . . . 0.0 110.045 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.82 -35.67 80.68 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.632 -0.668 . . . . 0.0 109.932 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -85.91 -37.56 18.95 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.675 -0.64 . . . . 0.0 110.008 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -67.12 -34.05 76.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.58 -0.7 . . . . 0.0 109.955 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -76.42 -29.54 57.08 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.571 -0.706 . . . . 0.0 110.075 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.5 p -84.79 -23.77 29.02 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.594 -0.691 . . . . 0.0 110.483 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.5 mmm -57.57 155.44 9.68 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.41 -0.806 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -100.91 -179.54 4.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.601 -0.687 . . . . 0.0 110.353 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.91 -22.59 63.2 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.598 -0.689 . . . . 0.0 110.615 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -68.85 -30.44 68.97 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.43 -0.794 . . . . 0.0 109.795 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -98.26 -43.58 6.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.652 -0.655 . . . . 0.0 109.907 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -61.12 -23.6 65.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.675 -0.641 . . . . 0.0 110.24 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.8 p -67.15 -31.48 71.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.461 -0.774 . . . . 0.0 110.266 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -66.94 -29.44 69.31 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.596 -0.69 . . . . 0.0 110.154 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -93.57 -28.72 15.88 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.569 -0.707 . . . . 0.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -79.07 -28.62 43.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.591 -0.693 . . . . 0.0 110.204 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -76.3 -28.37 56.96 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.48 -0.762 . . . . 0.0 110.226 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.4 mmt -78.26 -28.74 47.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.542 -0.724 . . . . 0.0 110.247 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -79.75 -30.69 40.85 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.621 -0.674 . . . . 0.0 110.272 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -74.39 -28.77 61.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.592 -0.693 . . . . 0.0 110.125 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t -61.62 -52.14 65.6 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.627 -0.671 . . . . 0.0 110.151 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -70.61 -28.81 65.13 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.615 -0.678 . . . . 0.0 110.221 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -61.34 -28.7 69.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.59 -0.694 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.04 -28.79 65.76 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.582 -0.699 . . . . 0.0 110.29 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -67.13 -28.57 68.25 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.561 -0.712 . . . . 0.0 110.177 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -67.21 -28.86 68.42 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.542 -0.724 . . . . 0.0 110.163 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -69.77 -32.98 71.78 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.611 -0.681 . . . . 0.0 110.112 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -102.76 34.73 2.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.608 -0.682 . . . . 0.0 110.142 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -119.27 -38.28 3.06 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.537 -0.727 . . . . 0.0 110.191 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.7 mtt -91.75 -28.7 17.23 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.585 -0.697 . . . . 0.0 110.255 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -79.42 -34.74 41.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.605 -0.684 . . . . 0.0 110.218 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.4 m120 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.248 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttm . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.118 0.485 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.42 121.27 0.66 Allowed Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -98.39 -58.81 1.88 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.547 -0.972 . . . . 0.0 110.196 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.29 -124.02 5.21 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -158.18 56.26 1.0 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.573 -0.957 . . . . 0.0 110.172 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -73.08 -42.95 0.83 Allowed 'Trans proline' 0 N--CA 1.487 1.111 0 O-C-N 123.333 1.175 . . . . 0.0 110.042 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.86 -47.61 0.49 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.954 -0.466 . . . . 0.0 110.156 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -87.79 167.3 20.81 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.635 -0.666 . . . . 0.0 110.257 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.82 -172.3 0.94 Allowed 'Trans proline' 0 C--N 1.318 -1.041 0 O-C-N 123.395 1.208 . . . . 0.0 110.304 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -91.88 174.16 7.48 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.579 -0.7 . . . . 0.0 110.233 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.67 60.92 3.53 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.2 mttt 52.77 -168.8 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.405 -1.056 . . . . 0.0 110.776 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 mtt -133.39 -168.06 2.03 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.543 -0.723 . . . . 0.0 110.172 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.427 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 11.8 t -153.08 178.63 9.51 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.572 -0.705 . . . . 0.0 110.207 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.8 p -68.75 -28.89 67.21 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.616 -0.677 . . . . 0.0 110.216 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -72.21 -29.08 63.63 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.615 -0.678 . . . . 0.0 110.109 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -33.92 52.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.557 -0.714 . . . . 0.0 110.026 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -80.11 -29.61 38.98 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.645 -0.659 . . . . 0.0 110.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -63.73 -54.68 31.67 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.658 -0.651 . . . . 0.0 109.999 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.6 t -63.73 -34.8 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.536 -0.727 . . . . 0.0 109.678 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.76 -49.14 71.91 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.61 -0.681 . . . . 0.0 110.073 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 m -69.2 -28.97 66.85 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.602 -0.686 . . . . 0.0 110.088 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 m -81.85 -28.02 33.23 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.594 -0.691 . . . . 0.0 110.219 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.32 -39.75 65.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.556 -0.715 . . . . 0.0 109.972 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.16 -49.77 74.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.571 -0.705 . . . . 0.0 109.924 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -61.33 -27.69 68.67 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.61 -0.681 . . . . 0.0 110.071 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.422 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 15.3 t60 -77.67 -7.31 56.26 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.522 -0.736 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -94.6 23.85 5.04 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.152 -0.967 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -123.67 -44.09 2.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.434 -0.791 . . . . 0.0 109.766 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -95.93 22.42 7.44 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.762 -0.586 . . . . 0.0 110.628 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 81.4 m-70 -145.81 89.67 6.09 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 110.14 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.97 -50.79 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.088 0 O-C-N 123.4 1.211 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -124.66 53.03 1.49 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.583 -0.698 . . . . 0.0 110.145 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.94 -19.47 10.38 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.549 -0.719 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m 56.17 172.47 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.228 -0.92 . . . . 0.0 110.376 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 36' ' ' VAL . 8.1 p -168.32 79.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.492 -0.755 . . . . 0.0 110.56 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -59.86 172.9 0.66 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.349 -0.844 . . . . 0.0 109.715 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -67.55 -47.12 70.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.377 -0.827 . . . . 0.0 110.411 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.543 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -70.21 -39.14 75.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.336 -0.852 . . . . 0.0 110.674 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -64.36 -15.53 60.57 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.656 -0.817 . . . . 0.0 110.152 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -115.81 -46.24 2.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.882 . . . . 0.0 110.639 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.543 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 78.1 p -55.39 -23.79 26.43 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.603 -0.686 . . . . 0.0 110.119 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -70.86 -29.75 65.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.594 -0.692 . . . . 0.0 109.663 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -88.93 -44.96 10.05 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.1 m -60.96 -28.98 69.37 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.59 -0.694 . . . . 0.0 110.068 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.8 p -73.47 -36.42 65.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.632 -0.668 . . . . 0.0 109.8 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.07 -30.96 69.4 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.633 -0.667 . . . . 0.0 109.75 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -88.63 -38.59 14.71 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.628 -0.67 . . . . 0.0 109.88 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -62.78 -54.19 42.78 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.647 -0.658 . . . . 0.0 109.791 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -60.26 -25.95 66.09 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.675 -0.641 . . . . 0.0 110.523 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.4 p -95.72 -15.69 22.46 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.533 -0.73 . . . . 0.0 111.01 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 167.03 1.06 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.218 -0.926 . . . . 0.0 110.578 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.2 m -95.36 172.74 7.91 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.544 -0.722 . . . . 0.0 110.38 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.08 -24.48 64.15 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.619 -0.676 . . . . 0.0 110.518 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -68.67 -30.55 69.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.413 -0.805 . . . . 0.0 109.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -96.16 -38.54 10.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.625 -0.672 . . . . 0.0 109.897 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -69.84 -19.06 63.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.696 -0.628 . . . . 0.0 110.53 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 p -79.0 -30.06 44.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.379 -0.826 . . . . 0.0 110.39 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -62.88 -29.2 70.58 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.479 -0.763 . . . . 0.0 110.199 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -94.19 -29.02 15.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.589 -0.694 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -72.95 -29.31 62.99 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.537 -0.727 . . . . 0.0 110.19 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -79.71 -28.31 40.6 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.567 -0.708 . . . . 0.0 110.221 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.3 mtt -79.26 -28.77 42.4 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.548 -0.72 . . . . 0.0 110.278 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.85 -32.31 46.02 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.522 -0.737 . . . . 0.0 110.107 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -70.37 -29.27 65.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.568 -0.707 . . . . 0.0 110.177 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 t -62.67 -41.48 99.1 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.583 -0.698 . . . . 0.0 110.134 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -82.91 -29.29 29.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.548 -0.72 . . . . 0.0 110.193 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -63.86 -29.17 70.39 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.575 -0.703 . . . . 0.0 110.165 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.25 -29.14 14.66 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.606 -0.684 . . . . 0.0 110.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -70.87 -27.9 64.17 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.55 -0.719 . . . . 0.0 110.203 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -73.34 -17.14 61.33 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 110.679 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -56.81 -27.76 60.42 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.203 -0.936 . . . . 0.0 110.557 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -98.99 34.99 1.97 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.556 -0.715 . . . . 0.0 110.107 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -131.69 -43.5 1.0 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.624 -0.672 . . . . 0.0 110.281 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 53.0 mtt -80.23 -47.47 14.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.594 -0.691 . . . . 0.0 110.275 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -149.32 170.37 18.67 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.589 -0.694 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.253 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 mmm . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.098 0.475 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.92 134.46 3.34 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -154.92 -44.35 0.08 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.594 -0.945 . . . . 0.0 110.208 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.82 -41.8 10.41 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.606 -1.397 . . . . 0.0 109.606 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -152.43 164.43 20.32 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.591 -0.947 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -73.34 -42.89 0.8 Allowed 'Trans proline' 0 C--N 1.316 -1.142 0 O-C-N 123.483 1.254 . . . . 0.0 110.014 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.6 -40.5 2.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.893 -0.504 . . . . 0.0 110.183 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -65.68 159.04 71.42 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.603 -0.686 . . . . 0.0 110.188 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD3' ' HE2' ' A' ' 75' ' ' MET . 46.2 Cg_endo -72.62 -166.73 0.3 Allowed 'Trans proline' 0 C--N 1.317 -1.116 0 O-C-N 123.411 1.216 . . . . 0.0 110.401 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -84.15 -166.57 1.47 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.565 -0.709 . . . . 0.0 110.129 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.47 134.49 6.87 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.24 147.79 22.84 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.534 -0.98 . . . . 0.0 110.151 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -106.96 -75.88 0.62 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.539 -0.726 . . . . 0.0 110.204 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -169.55 -175.86 2.28 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.432 -0.793 . . . . 0.0 110.205 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -70.74 -28.3 64.6 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.658 -0.651 . . . . 0.0 110.177 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -75.45 -29.09 59.54 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.507 -0.746 . . . . 0.0 110.155 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.62 -40.22 66.63 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.572 -0.705 . . . . 0.0 109.908 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -70.84 -28.91 64.95 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.673 -0.642 . . . . 0.0 109.987 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -60.97 -50.85 71.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.605 -0.684 . . . . 0.0 110.186 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.99 -30.6 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.533 -0.729 . . . . 0.0 109.893 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -70.25 -41.42 73.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.533 -0.729 . . . . 0.0 110.122 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.1 m -80.37 -27.79 38.14 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.571 -0.706 . . . . 0.0 110.247 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.4 m -76.23 -26.21 55.84 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.593 -0.692 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -70.69 -44.42 67.01 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.514 -0.741 . . . . 0.0 109.993 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -60.82 -40.85 94.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.546 -0.721 . . . . 0.0 109.842 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -71.67 -18.93 62.15 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.705 -0.622 . . . . 0.0 110.262 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 33.1 t60 -96.87 30.2 2.77 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.417 -0.802 . . . . 0.0 110.105 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -126.89 -51.28 1.45 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.424 -0.798 . . . . 0.0 110.501 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -61.73 -26.85 68.32 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.599 -0.688 . . . . 0.0 110.495 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 18.7 ptpt -105.41 -23.51 12.82 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.54 -0.725 . . . . 0.0 110.609 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.416 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 49.1 m-70 -117.43 69.7 5.97 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 121.422 -0.799 . . . . 0.0 110.305 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.2 -49.69 0.22 Allowed 'Trans proline' 0 C--N 1.317 -1.106 0 O-C-N 123.256 1.134 . . . . 0.0 110.282 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.46 59.1 2.89 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.587 -0.696 . . . . 0.0 110.185 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.0 m -150.76 132.47 14.93 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.553 -0.717 . . . . 0.0 110.231 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -80.68 144.36 32.32 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.571 -0.706 . . . . 0.0 110.109 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.1 p -156.04 69.22 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.581 -0.699 . . . . 0.0 110.225 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.18 -178.26 0.08 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.481 -0.762 . . . . 0.0 109.767 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -72.06 -41.06 67.85 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.386 -0.821 . . . . 0.0 110.202 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.47 -43.48 63.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.272 -0.892 . . . . 0.0 110.506 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.42 -16.65 56.22 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.921 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -110.94 -45.49 3.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.284 -0.885 . . . . 0.0 111.008 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 91.4 p -56.5 -24.21 44.75 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.445 -0.785 . . . . 0.0 110.173 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -80.6 -29.71 36.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.573 -0.705 . . . . 0.0 109.78 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.73 -40.33 15.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.561 -0.712 . . . . 0.0 110.224 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.6 m -60.63 -29.68 69.4 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.602 -0.686 . . . . 0.0 109.989 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -34.79 66.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.513 -0.742 . . . . 0.0 109.859 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.19 -28.26 69.55 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.572 -0.705 . . . . 0.0 109.899 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -95.66 -40.84 9.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.665 -0.647 . . . . 0.0 109.827 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -60.16 -41.63 93.23 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.651 -0.656 . . . . 0.0 109.759 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -66.42 -16.9 64.45 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.613 -0.679 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -118.76 -1.15 11.13 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.283 -0.886 . . . . 0.0 111.182 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.6 mmm -59.2 164.93 2.85 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.152 -0.967 . . . . 0.0 110.235 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -89.78 166.39 13.58 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.492 -0.755 . . . . 0.0 110.334 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.83 -23.47 66.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.597 -0.69 . . . . 0.0 110.534 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -73.63 -30.43 62.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.426 -0.796 . . . . 0.0 109.863 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -94.7 -34.25 12.62 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.722 -0.611 . . . . 0.0 109.938 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -73.69 -25.05 60.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.637 -0.665 . . . . 0.0 110.254 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -69.42 -31.16 69.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.516 -0.74 . . . . 0.0 110.22 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -64.45 -32.05 73.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.611 -0.68 . . . . 0.0 110.114 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -90.86 -29.13 17.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.543 -0.723 . . . . 0.0 110.174 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.74 -29.83 29.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.635 -0.665 . . . . 0.0 110.179 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.01 -29.04 29.21 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.587 -0.696 . . . . 0.0 110.123 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.7 mtt -77.93 -29.29 49.89 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.569 -0.707 . . . . 0.0 110.131 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.59 -33.83 41.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.575 -0.703 . . . . 0.0 110.169 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -81.05 -30.27 34.86 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.579 -0.701 . . . . 0.0 110.156 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 t -66.94 -33.13 74.91 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.623 -0.673 . . . . 0.0 110.028 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.03 -29.06 23.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.586 -0.696 . . . . 0.0 110.118 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.46 -34.34 74.23 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.625 -0.672 . . . . 0.0 110.153 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.05 -29.51 60.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.559 -0.713 . . . . 0.0 110.066 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -71.82 -27.83 63.17 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.635 -0.666 . . . . 0.0 110.156 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.36 -28.45 68.2 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.569 -0.707 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -78.96 -31.35 44.99 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.531 -0.731 . . . . 0.0 110.17 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -98.63 36.6 1.62 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.555 -0.716 . . . . 0.0 110.165 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -130.97 -45.11 1.04 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.604 -0.685 . . . . 0.0 110.21 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.433 ' HE2' ' HD3' ' A' ' 9' ' ' PRO . 8.6 mmt -98.14 -30.38 12.69 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.559 -0.713 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -144.31 -171.1 3.51 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.517 -0.739 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.8 m120 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.173 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.078 0.466 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.76 165.17 39.4 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -153.56 32.53 0.46 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.614 -0.933 . . . . 0.0 110.093 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.99 -131.36 7.38 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.13 169.52 6.52 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.568 -0.96 . . . . 0.0 110.179 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -73.48 -43.07 0.72 Allowed 'Trans proline' 0 C--N 1.316 -1.138 0 O-C-N 123.434 1.228 . . . . 0.0 109.938 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.6 -33.57 4.25 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 122.016 -0.428 . . . . 0.0 110.427 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -82.0 163.25 54.12 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.517 -0.739 . . . . 0.0 110.148 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.81 171.16 17.94 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 O-C-N 123.368 1.194 . . . . 0.0 110.408 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -58.52 177.27 0.14 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.52 -0.738 . . . . 0.0 110.47 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.27 58.7 0.4 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt 53.22 -179.04 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.516 -0.99 . . . . 0.0 110.753 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.442 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 29.7 mtt -138.79 -41.15 0.49 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.558 -0.714 . . . . 0.0 110.812 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.597 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 1.3 t 62.48 162.01 0.09 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.182 -0.949 . . . . 0.0 110.115 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 77.8 p -58.78 -30.56 67.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.624 -0.673 . . . . 0.0 110.887 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -60.74 -25.9 66.8 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.458 -0.776 . . . . 0.0 110.616 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -81.37 -34.93 31.42 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.476 -0.765 . . . . 0.0 110.408 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -76.29 -25.83 55.27 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.527 -0.733 . . . . 0.0 110.491 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -69.04 -49.86 53.8 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.35 -0.844 . . . . 0.0 110.312 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t -72.42 -31.35 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.559 -0.713 . . . . 0.0 110.003 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -71.49 -29.18 64.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.538 -0.726 . . . . 0.0 110.182 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.3 m -97.57 -27.55 14.35 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.556 -0.715 . . . . 0.0 110.289 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -76.4 -28.55 56.75 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.633 -0.667 . . . . 0.0 110.234 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -76.54 -35.5 58.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.597 -0.69 . . . . 0.0 110.147 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.71 -50.05 66.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.664 -0.648 . . . . 0.0 110.071 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -63.08 -24.16 67.78 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.611 -0.681 . . . . 0.0 110.423 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -68.81 -46.87 67.53 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.414 -0.804 . . . . 0.0 110.226 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -62.1 -28.05 69.35 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.572 -0.705 . . . . 0.0 110.432 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -60.71 -26.6 67.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.52 -0.738 . . . . 0.0 110.486 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -128.33 19.6 6.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.504 -0.748 . . . . 0.0 110.871 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 78.1 m-70 -144.87 63.28 10.16 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.442 -0.786 . . . . 0.0 110.184 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.02 -41.28 1.4 Allowed 'Trans proline' 0 C--N 1.318 -1.057 0 O-C-N 123.272 1.143 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.81 55.55 1.38 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.618 -0.676 . . . . 0.0 110.262 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.9 m -152.13 -158.4 0.9 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.56 -0.712 . . . . 0.0 110.144 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -151.72 160.65 43.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.571 -0.706 . . . . 0.0 110.168 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.0 p -156.23 70.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.605 -0.684 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -58.84 172.64 0.51 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.547 -0.721 . . . . 0.0 109.731 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' SER . 83.6 m-85 -62.67 -64.71 0.84 Allowed 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.32 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.66 -49.17 68.53 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.495 -0.753 . . . . 0.0 111.892 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -54.18 -23.68 15.33 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.189 -0.944 . . . . 0.0 110.277 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -105.75 -26.98 11.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.546 -0.721 . . . . 0.0 110.17 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' PHE . 4.8 p -64.24 -26.7 68.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.664 -0.647 . . . . 0.0 109.443 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -84.81 -25.47 28.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.745 -0.597 . . . . 0.0 110.349 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -84.73 -41.94 15.73 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.512 -0.743 . . . . 0.0 110.754 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.3 p -58.9 -31.3 68.49 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.444 -0.785 . . . . 0.0 110.45 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.9 p -67.58 -34.26 76.67 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.593 -0.692 . . . . 0.0 110.12 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.6 -28.83 68.81 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.59 -0.694 . . . . 0.0 110.073 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -94.52 -42.18 8.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.591 -0.693 . . . . 0.0 110.251 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.413 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 72.4 t-105 -60.64 -29.86 69.52 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.635 -0.665 . . . . 0.0 110.248 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -80.95 -27.72 35.94 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.536 -0.728 . . . . 0.0 110.371 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.7 p -84.35 -26.59 28.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.528 -0.733 . . . . 0.0 110.464 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.8 mmm -59.36 152.31 21.54 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.376 -0.828 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.5 t -107.36 -173.8 2.38 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.579 -0.7 . . . . 0.0 110.293 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.73 -20.7 65.95 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.592 -0.692 . . . . 0.0 110.701 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -72.84 -27.99 62.26 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.357 -0.84 . . . . 0.0 110.142 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -105.78 -25.36 12.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.622 -0.674 . . . . 0.0 110.483 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HE3' ' CE2' ' A' ' 49' ' ' TRP . 39.1 mtpt -95.71 27.59 3.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.415 -0.803 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 p -105.06 -33.27 8.36 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.47 -0.769 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -70.98 -30.21 66.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.569 -0.707 . . . . 0.0 110.36 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -76.47 -33.16 58.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.58 -0.7 . . . . 0.0 110.186 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.54 -30.41 71.44 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.568 -0.708 . . . . 0.0 110.209 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -71.94 -28.66 63.61 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.576 -0.703 . . . . 0.0 110.18 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.0 mmt -80.97 -33.14 34.04 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.559 -0.713 . . . . 0.0 110.187 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -70.75 -39.52 73.24 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.688 -0.632 . . . . 0.0 110.155 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -62.95 -26.93 69.05 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.638 -0.664 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.0 t -59.89 -47.26 86.48 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.486 -0.759 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -82.46 -40.44 21.14 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.553 -0.717 . . . . 0.0 110.175 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -62.68 -28.23 69.78 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.679 -0.638 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.07 -30.72 31.17 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.651 -0.655 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -85.13 -28.63 25.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.526 -0.734 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.19 -28.12 69.53 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.59 -0.694 . . . . 0.0 110.21 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -73.98 -34.66 64.3 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.496 -0.753 . . . . 0.0 110.19 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.2 mtt85 -102.9 44.38 1.02 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.527 -0.733 . . . . 0.0 110.215 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -125.76 -41.25 1.99 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.739 . . . . 0.0 110.224 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.3 mtp -105.38 38.79 1.88 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.548 -0.72 . . . . 0.0 110.243 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -114.77 38.71 3.05 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.621 -0.674 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.196 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 ptm . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.025 0.441 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.34 97.72 0.11 Allowed Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -147.07 94.99 2.49 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.59 -0.947 . . . . 0.0 110.181 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.53 -30.06 5.1 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.84 162.94 55.89 Favored Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.621 -0.929 . . . . 0.0 110.074 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.29 -43.2 0.74 Allowed 'Trans proline' 0 N--CA 1.486 1.077 0 O-C-N 123.435 1.229 . . . . 0.0 110.168 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.27 85.39 2.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.86 -0.525 . . . . 0.0 110.286 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -158.23 151.83 19.28 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.575 -0.703 . . . . 0.0 110.096 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.78 170.21 20.14 Favored 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.445 1.234 . . . . 0.0 110.378 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -104.15 33.08 3.63 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.636 -0.665 . . . . 0.0 110.294 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.14 -160.75 38.82 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -119.5 -167.94 1.5 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.618 -0.931 . . . . 0.0 110.238 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.417 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 22.4 mtt -148.74 115.59 6.02 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.539 -0.726 . . . . 0.0 110.181 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.532 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 11.5 t -78.05 179.79 6.59 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.53 -0.732 . . . . 0.0 110.245 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.1 p -71.81 -28.61 63.7 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.62 -0.675 . . . . 0.0 110.205 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -74.12 -28.83 61.53 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.555 -0.716 . . . . 0.0 110.146 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.99 -45.4 61.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.59 -0.694 . . . . 0.0 110.102 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 30.2 m-85 -62.23 -29.07 70.13 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.541 -0.724 . . . . 0.0 110.101 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.86 -59.81 4.34 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.622 -0.674 . . . . 0.0 110.215 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.81 -29.6 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.592 -0.692 . . . . 0.0 109.88 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -69.46 -33.43 72.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.543 -0.723 . . . . 0.0 110.093 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.3 m -89.24 -29.28 19.35 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.6 -0.688 . . . . 0.0 110.137 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.6 m -79.63 -29.54 41.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.6 -0.688 . . . . 0.0 110.108 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -33.21 43.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.629 -0.669 . . . . 0.0 110.09 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.14 -28.93 68.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.643 -0.66 . . . . 0.0 110.15 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -96.01 24.35 5.62 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.491 -0.756 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -104.49 -45.36 4.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.462 -0.774 . . . . 0.0 110.121 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -61.17 -26.86 68.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.677 -0.639 . . . . 0.0 110.413 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -59.7 -27.06 66.11 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.477 -0.765 . . . . 0.0 110.491 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -131.4 21.01 4.76 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.469 -0.769 . . . . 0.0 110.818 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.443 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 80.3 m-70 -145.33 75.56 13.67 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.393 -0.817 . . . . 0.0 110.123 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.05 -46.27 0.39 Allowed 'Trans proline' 0 C--N 1.318 -1.074 0 O-C-N 123.283 1.149 . . . . 0.0 110.407 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.01 64.54 0.68 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.574 -0.704 . . . . 0.0 110.191 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -153.12 -49.69 0.1 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.453 -0.78 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.441 ' C ' HG13 ' A' ' 36' ' ' VAL . 9.2 m 54.79 174.56 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.42 -0.8 . . . . 0.0 110.753 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 36' ' ' VAL . 34.7 m -147.92 120.61 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.734 -0.604 . . . . 0.0 110.53 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -90.53 51.49 2.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.554 -0.716 . . . . 0.0 109.818 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 56.94 -84.9 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.81 -0.556 . . . . 0.0 110.892 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.63 -23.46 2.61 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.787 -1.196 . . . . 0.0 112.041 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -77.77 -18.1 56.8 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.439 -0.904 . . . . 0.0 109.786 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -120.28 -43.51 2.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.486 -0.759 . . . . 0.0 109.636 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.7 p -56.77 -22.8 38.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.835 -0.541 . . . . 0.0 109.966 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -71.74 -31.11 66.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.575 -0.703 . . . . 0.0 110.0 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.58 -37.67 20.88 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.567 -0.708 . . . . 0.0 110.196 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.4 m -60.93 -32.63 72.13 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.519 -0.738 . . . . 0.0 110.078 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -64.07 -36.73 84.98 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.476 -0.765 . . . . 0.0 109.851 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.79 -28.77 69.79 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.542 -0.724 . . . . 0.0 109.958 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -91.16 -38.81 12.49 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.584 -0.698 . . . . 0.0 110.074 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.417 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 60.4 t-105 -62.44 -53.24 57.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.586 -0.697 . . . . 0.0 110.126 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -62.81 -26.15 68.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.554 -0.716 . . . . 0.0 110.553 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.3 p -92.79 -17.66 23.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.516 -0.74 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.3 mmm -56.1 152.67 10.21 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.31 -0.868 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 t -80.11 163.67 23.95 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.583 -0.698 . . . . 0.0 110.36 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.67 -26.27 66.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.596 -0.69 . . . . 0.0 110.294 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -69.28 -31.16 69.49 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.482 -0.761 . . . . 0.0 109.729 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -92.63 -38.41 11.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.681 -0.637 . . . . 0.0 109.887 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 19.3 mtmt -67.44 -22.39 65.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.644 -0.66 . . . . 0.0 110.271 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.2 p -70.37 -30.38 67.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.448 -0.783 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -62.28 -29.03 70.14 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.626 -0.671 . . . . 0.0 110.204 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -89.53 -28.76 19.4 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.636 -0.665 . . . . 0.0 110.194 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -76.78 -28.94 55.85 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.639 -0.663 . . . . 0.0 110.239 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -70.68 -31.63 68.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.571 -0.706 . . . . 0.0 110.084 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -29.08 32.08 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.617 -0.677 . . . . 0.0 110.05 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.95 -29.38 43.94 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.649 -0.657 . . . . 0.0 110.198 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -78.14 -28.84 48.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.595 -0.691 . . . . 0.0 110.156 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.7 t -72.2 -30.98 65.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.662 -0.649 . . . . 0.0 110.114 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -83.07 -29.58 28.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.619 -0.675 . . . . 0.0 110.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -68.29 -30.08 69.0 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.647 -0.658 . . . . 0.0 110.136 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.26 -28.77 23.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.601 -0.687 . . . . 0.0 110.224 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -74.58 -28.65 61.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.524 -0.735 . . . . 0.0 110.15 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CE1' ' HG3' ' A' ' 75' ' ' MET . 37.1 t80 -76.71 -28.86 56.01 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.572 -0.705 . . . . 0.0 110.191 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.83 -31.12 69.87 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.56 -0.712 . . . . 0.0 110.044 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -88.7 -33.97 17.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.635 -0.665 . . . . 0.0 110.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.85 -37.52 87.9 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.576 -0.702 . . . . 0.0 110.225 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.421 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 5.8 mmt -89.76 -57.89 2.71 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.605 -0.684 . . . . 0.0 110.24 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -92.72 -176.56 4.28 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.559 -0.713 . . . . 0.0 110.285 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 t30 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.179 -179.924 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ttt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.057 0.455 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.83 96.93 0.14 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -154.48 45.08 0.54 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.54 -0.976 . . . . 0.0 110.253 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.56 -142.14 0.07 OUTLIER Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.611 -1.395 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.439 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.59 -60.14 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.536 -0.979 . . . . 0.0 110.306 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.3 Cg_endo -72.69 -42.31 1.24 Allowed 'Trans proline' 0 N--CA 1.488 1.198 0 O-C-N 123.098 1.052 . . . . 0.0 109.91 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.34 -70.45 0.78 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 122.004 -0.435 . . . . 0.0 110.284 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -61.03 111.57 4.38 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.582 -0.699 . . . . 0.0 110.087 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.54 178.1 6.64 Favored 'Trans proline' 0 N--CA 1.485 0.975 0 O-C-N 123.093 1.049 . . . . 0.0 110.229 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -67.41 152.44 45.68 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.547 -0.72 . . . . 0.0 110.184 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.25 142.49 22.21 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -92.39 -168.04 1.89 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.56 -0.965 . . . . 0.0 110.144 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.6 mtt -134.64 -162.61 1.27 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.54 -0.725 . . . . 0.0 109.803 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -139.94 179.34 6.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.535 -0.728 . . . . 0.0 110.1 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.3 p -59.72 -29.51 68.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.53 -0.732 . . . . 0.0 110.418 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -70.71 -30.47 67.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.595 -0.691 . . . . 0.0 110.2 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.56 -37.8 27.15 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.578 -0.702 . . . . 0.0 110.157 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -65.08 -29.23 70.08 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.656 -0.653 . . . . 0.0 110.143 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 49' ' ' TRP . 32.3 t80 -61.38 -51.49 68.58 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.628 -0.67 . . . . 0.0 110.139 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.73 -29.64 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.579 -0.7 . . . . 0.0 109.907 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -70.03 -36.06 74.79 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.603 -0.686 . . . . 0.0 110.101 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -84.47 -29.43 26.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.567 -0.708 . . . . 0.0 110.055 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.6 m -78.89 -29.66 44.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.618 -0.676 . . . . 0.0 110.174 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.51 -41.26 69.45 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.527 -0.733 . . . . 0.0 109.982 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -63.74 -33.27 75.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.58 -0.7 . . . . 0.0 109.828 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.21 -12.36 59.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.663 -0.648 . . . . 0.0 110.833 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.497 ' CD2' ' CD2' ' A' ' 31' ' ' HIS . 14.3 t60 -90.63 17.29 7.72 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.267 -0.895 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -111.97 22.76 14.52 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.245 -0.909 . . . . 0.0 110.586 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -114.62 -30.83 6.38 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.374 -0.829 . . . . 0.0 110.152 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 1.5 ptmm? -126.73 31.15 5.37 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.625 -0.672 . . . . 0.0 110.423 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CD2' ' CD2' ' A' ' 27' ' ' HIS . 81.9 m-70 -145.61 80.12 10.9 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 121.595 -0.691 . . . . 0.0 110.253 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.8 -50.8 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.04 0 O-C-N 123.405 1.213 . . . . 0.0 110.372 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -124.13 58.53 1.18 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.577 -0.702 . . . . 0.0 110.061 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.5 t -111.03 -22.33 11.53 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.568 -0.707 . . . . 0.0 110.605 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 m 54.97 98.0 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.259 -0.901 . . . . 0.0 110.514 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.7 p -107.53 77.63 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.606 -0.684 . . . . 0.0 110.444 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -59.36 -173.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.399 -0.813 . . . . 0.0 109.829 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -76.08 -47.66 23.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.384 -0.822 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.24 -39.58 74.97 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.312 -0.868 . . . . 0.0 110.679 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.61 -16.93 59.04 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.225 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -115.5 -46.04 2.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.324 -0.86 . . . . 0.0 110.63 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.1 p -56.54 -23.35 39.42 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.524 -0.735 . . . . 0.0 110.203 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -68.09 -29.77 68.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.554 -0.716 . . . . 0.0 109.762 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -92.08 -45.86 8.08 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.567 -0.708 . . . . 0.0 110.177 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 72.6 m -61.38 -29.42 69.91 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.549 -0.719 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.4 p -72.64 -33.51 66.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.565 -0.709 . . . . 0.0 109.796 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -72.68 -31.03 64.73 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.606 -0.684 . . . . 0.0 109.738 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -89.81 -38.78 13.53 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.722 -0.611 . . . . 0.0 109.863 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.43 ' HB2' ' CE2' ' A' ' 19' ' ' PHE . 61.6 t-105 -61.36 -48.62 80.47 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.586 -0.696 . . . . 0.0 109.849 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -65.77 -26.4 67.7 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.67 -0.644 . . . . 0.0 110.432 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.1 p -101.04 -0.6 36.1 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.478 -0.764 . . . . 0.0 111.054 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.43 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 2.1 mmm -61.72 163.1 7.69 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.207 -0.933 . . . . 0.0 110.167 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -88.45 166.74 14.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.626 -0.671 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.26 -19.93 65.58 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.633 -0.667 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -74.16 -30.4 62.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.311 -0.868 . . . . 0.0 109.905 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 18.0 mt-10 -95.94 -34.54 11.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.642 -0.661 . . . . 0.0 109.996 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -74.05 -25.15 59.68 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.629 -0.67 . . . . 0.0 110.29 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.3 p -71.47 -29.38 64.77 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.482 -0.761 . . . . 0.0 110.238 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -62.93 -29.01 70.46 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.547 -0.72 . . . . 0.0 110.178 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -94.79 -28.89 15.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.594 -0.691 . . . . 0.0 110.202 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.56 -29.03 65.37 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.534 -0.729 . . . . 0.0 110.184 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.46 -28.14 23.66 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.581 -0.7 . . . . 0.0 110.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 74.6 mtp -78.03 -28.57 49.06 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.598 -0.688 . . . . 0.0 110.176 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.14 22.97 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.571 -0.705 . . . . 0.0 110.176 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -68.83 -29.66 68.04 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.559 -0.713 . . . . 0.0 110.156 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.5 t -63.94 -36.3 83.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.556 -0.715 . . . . 0.0 110.14 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.1 -28.69 21.14 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.584 -0.698 . . . . 0.0 110.273 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -60.39 -28.25 68.08 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.567 -0.708 . . . . 0.0 110.381 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.07 -29.09 60.58 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.557 -0.715 . . . . 0.0 110.242 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -61.58 -26.48 67.99 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.567 -0.708 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -59.72 -28.55 67.43 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.521 -0.737 . . . . 0.0 110.33 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -83.96 -31.86 25.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.63 -0.669 . . . . 0.0 110.181 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -99.09 42.51 1.1 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -125.9 -41.39 1.96 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.55 -0.719 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.2 mmm -82.84 -39.21 21.96 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.623 -0.673 . . . . 0.0 110.217 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -146.19 142.01 28.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.523 -0.736 . . . . 0.0 110.32 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.234 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.067 0.461 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.95 50.11 5.7 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -155.02 -51.85 0.09 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.582 -0.952 . . . . 0.0 110.204 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.32 -139.55 10.76 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -154.23 62.19 3.64 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.555 -0.968 . . . . 0.0 110.24 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.17 -42.88 0.84 Allowed 'Trans proline' 0 C--N 1.317 -1.09 0 O-C-N 123.382 1.201 . . . . 0.0 110.09 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.57 -48.71 0.64 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.876 -0.515 . . . . 0.0 110.192 -178.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -95.05 161.18 29.1 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.592 -0.692 . . . . 0.0 110.286 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.69 -175.72 1.98 Allowed 'Trans proline' 0 C--N 1.316 -1.183 0 O-C-N 123.426 1.224 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -90.96 -177.87 5.05 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.563 -0.711 . . . . 0.0 110.132 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.85 -143.98 0.41 Allowed Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -124.49 -168.57 1.83 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.523 -0.987 . . . . 0.0 110.167 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.42 99.76 6.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.665 -0.647 . . . . 0.0 110.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.508 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 18.4 t -81.11 -176.82 6.16 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.678 -0.639 . . . . 0.0 110.134 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.4 p -70.02 -28.75 65.75 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.587 -0.695 . . . . 0.0 110.156 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -67.33 -29.32 68.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.607 -0.683 . . . . 0.0 110.073 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.6 -36.18 52.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.521 -0.737 . . . . 0.0 110.037 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -73.82 -29.22 62.03 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.58 -0.7 . . . . 0.0 110.084 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -62.45 -52.74 62.32 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.605 -0.684 . . . . 0.0 110.143 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.51 -29.59 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.607 -0.683 . . . . 0.0 109.802 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -68.5 -32.87 73.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.544 -0.722 . . . . 0.0 110.082 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.6 m -85.85 -29.41 23.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.61 -0.681 . . . . 0.0 110.129 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 m -84.97 -28.03 26.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.592 -0.692 . . . . 0.0 110.238 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -43.12 48.39 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.528 -0.733 . . . . 0.0 110.106 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.58 -28.19 65.33 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.474 -0.766 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -87.16 -26.83 23.39 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.537 -0.727 . . . . 0.0 110.155 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.406 ' CD2' HG21 ' A' ' 36' ' ' VAL . 13.1 t60 -69.16 -10.21 56.6 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.519 -0.738 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -91.87 20.62 5.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.124 -0.985 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -117.41 -17.01 10.19 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.359 -0.838 . . . . 0.0 110.824 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -139.5 26.23 2.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.253 -0.905 . . . . 0.0 110.631 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 85.2 m-70 -145.97 72.63 13.57 Favored Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.555 -0.715 . . . . 0.0 110.245 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.91 -50.74 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.062 0 O-C-N 123.351 1.185 . . . . 0.0 110.435 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.7 48.93 0.93 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.587 -0.695 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.2 t -113.47 -28.75 7.42 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.545 -0.722 . . . . 0.0 110.231 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 m 52.82 96.03 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.406 -0.809 . . . . 0.0 110.73 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 41' ' ' PHE . 75.5 t -92.08 100.34 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.639 -0.663 . . . . 0.0 110.262 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -94.46 46.85 1.16 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.568 -0.708 . . . . 0.0 109.608 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 60.13 -78.59 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.945 -0.472 . . . . 0.0 111.007 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.47 -27.78 7.16 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.996 -1.065 . . . . 0.0 111.776 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -73.53 -18.2 61.12 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.609 -0.836 . . . . 0.0 109.811 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB2' HG13 ' A' ' 36' ' ' VAL . 40.9 t80 -117.93 -44.63 2.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.463 -0.773 . . . . 0.0 109.963 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.4 p -55.53 -23.8 28.47 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.675 -0.641 . . . . 0.0 110.002 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -68.45 -30.11 68.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.654 -0.654 . . . . 0.0 109.752 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -86.8 -42.51 13.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.652 -0.655 . . . . 0.0 110.157 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 66.1 m -60.93 -28.41 68.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.584 -0.698 . . . . 0.0 110.128 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.5 p -72.06 -30.21 64.92 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.542 -0.724 . . . . 0.0 109.94 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.06 -30.27 63.59 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.63 -0.669 . . . . 0.0 109.837 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -90.85 -37.18 13.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.566 -0.709 . . . . 0.0 109.905 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -64.96 -37.44 87.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.626 -0.671 . . . . 0.0 110.024 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -79.92 -24.73 40.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.582 -0.698 . . . . 0.0 110.616 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.6 p -94.39 -21.98 18.6 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.437 -0.79 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.0 mtp -57.7 165.88 1.54 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.307 -0.871 . . . . 0.0 110.386 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -104.3 -168.68 1.52 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.6 -0.688 . . . . 0.0 110.365 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.87 -8.51 57.48 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.553 -0.717 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -74.66 -30.74 61.7 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.259 -0.901 . . . . 0.0 109.794 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -102.18 -37.42 8.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.703 -0.623 . . . . 0.0 109.926 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -67.81 -26.57 66.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.708 -0.62 . . . . 0.0 110.241 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 p -64.61 -32.19 73.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.508 -0.745 . . . . 0.0 110.273 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -68.87 -29.22 67.47 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.526 -0.734 . . . . 0.0 110.163 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -93.91 -28.8 15.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.57 -0.706 . . . . 0.0 110.185 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.71 -28.76 62.86 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.555 -0.716 . . . . 0.0 110.169 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.06 -28.72 48.92 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.494 -0.754 . . . . 0.0 110.146 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.2 mmt -81.14 -28.94 34.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.614 -0.679 . . . . 0.0 110.163 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -74.48 -41.37 60.85 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.589 -0.695 . . . . 0.0 110.115 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -65.15 -30.55 71.48 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.575 -0.703 . . . . 0.0 110.065 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -63.23 -37.49 87.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.646 -0.659 . . . . 0.0 110.075 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -87.04 -32.44 19.99 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.589 -0.694 . . . . 0.0 110.089 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -65.29 -29.15 69.88 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.632 -0.667 . . . . 0.0 110.088 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.86 -25.53 35.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.687 -0.633 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -98.21 24.46 7.15 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.516 -0.74 . . . . 0.0 110.594 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.13 31.1 1.97 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.399 -0.813 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -111.2 -33.06 6.56 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.646 -0.659 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -98.13 31.66 2.67 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.627 -0.671 . . . . 0.0 110.249 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.75 -34.26 5.85 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.638 -0.664 . . . . 0.0 110.26 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 51.1 mtm -94.08 -28.77 15.53 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.581 -0.699 . . . . 0.0 110.173 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.2 -37.39 75.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.544 -0.723 . . . . 0.0 110.148 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.235 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 ttt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.109 0.48 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.21 55.17 0.3 Allowed Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -101.12 133.3 45.86 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.559 -0.965 . . . . 0.0 110.218 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.56 -173.15 36.53 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -153.19 161.33 29.39 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.564 -0.963 . . . . 0.0 110.242 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -73.33 -42.87 0.8 Allowed 'Trans proline' 0 N--CA 1.487 1.117 0 O-C-N 123.487 1.256 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.54 -41.13 2.03 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.064 0.459 . . . . 0.0 110.177 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -62.75 155.18 71.8 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.537 -0.727 . . . . 0.0 110.138 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.57 -177.68 2.93 Favored 'Trans proline' 0 C--N 1.316 -1.135 0 O-C-N 123.444 1.234 . . . . 0.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -101.01 159.36 15.28 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.491 -0.756 . . . . 0.0 110.176 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.56 -143.49 0.06 OUTLIER Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -136.77 -168.96 2.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.596 -0.944 . . . . 0.0 110.213 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.452 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 24.0 ttm -161.11 123.46 3.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.651 -0.655 . . . . 0.0 110.166 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 t -82.35 -179.84 7.55 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.617 -0.677 . . . . 0.0 110.242 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.5 p -69.07 -28.73 66.79 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.568 -0.707 . . . . 0.0 110.177 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -70.78 -29.15 65.28 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.616 -0.677 . . . . 0.0 110.184 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' HB3' ' HG2' ' A' ' 13' ' ' MET . . . -77.53 -30.28 52.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.491 -0.756 . . . . 0.0 110.045 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -76.99 -29.41 55.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.536 -0.727 . . . . 0.0 110.088 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -62.17 -56.69 16.21 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.576 -0.703 . . . . 0.0 109.949 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.34 -31.39 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.594 -0.691 . . . . 0.0 109.629 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -69.14 -51.29 39.87 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.579 -0.701 . . . . 0.0 109.832 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.6 m -69.88 -30.69 68.2 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.61 -0.681 . . . . 0.0 109.685 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -73.38 -28.65 62.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.622 -0.674 . . . . 0.0 109.917 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.4 ttt-85 -69.18 -42.74 75.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.511 -0.743 . . . . 0.0 109.682 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -62.87 -46.8 86.17 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.625 -0.672 . . . . 0.0 109.643 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -62.74 -25.02 67.98 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.721 -0.612 . . . . 0.0 110.027 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.528 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 56.2 t60 -95.23 36.3 1.24 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.514 -0.741 . . . . 0.0 110.113 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -130.12 25.01 5.24 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.135 -0.978 . . . . 0.0 110.885 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -108.39 -60.29 1.75 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.392 -0.817 . . . . 0.0 110.1 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.54 62.07 0.61 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.589 -0.694 . . . . 0.0 110.024 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 13.6 m80 -144.95 54.2 2.4 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 121.368 -0.833 . . . . 0.0 109.782 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.1 Cg_endo -72.36 -49.42 0.28 Allowed 'Trans proline' 0 C--N 1.318 -1.031 0 O-C-N 123.372 1.196 . . . . 0.0 110.431 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -101.89 40.39 1.33 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.597 -0.689 . . . . 0.0 110.236 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 t -132.14 126.69 34.29 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.596 -0.69 . . . . 0.0 110.214 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -91.04 145.3 24.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.564 -0.71 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.1 p -144.18 63.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.61 -0.681 . . . . 0.0 110.312 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -58.75 175.02 0.29 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.486 -0.759 . . . . 0.0 109.856 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -63.93 -43.45 95.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.279 -0.888 . . . . 0.0 110.357 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.07 -42.36 72.88 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.23 -0.919 . . . . 0.0 110.659 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.02 -15.5 59.55 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.164 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -113.09 -42.85 3.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 110.805 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.5 p -57.68 -21.69 41.65 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.55 -0.719 . . . . 0.0 110.033 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -88.54 -27.98 21.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.527 -0.733 . . . . 0.0 110.341 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.03 -36.83 21.0 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.527 -0.733 . . . . 0.0 110.841 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.1 p -59.45 -31.53 69.39 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.318 -0.864 . . . . 0.0 110.264 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.6 p -61.28 -36.12 79.18 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.602 -0.687 . . . . 0.0 110.192 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -62.06 -29.36 70.24 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.66 -0.65 . . . . 0.0 110.134 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -94.32 -38.58 10.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.682 -0.636 . . . . 0.0 110.119 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -63.08 -44.29 96.14 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.571 -0.706 . . . . 0.0 110.147 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -66.94 -28.41 68.26 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.666 -0.646 . . . . 0.0 110.21 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.9 p -85.76 -24.21 26.97 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.606 -0.684 . . . . 0.0 110.492 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.6 mmm -58.19 152.65 16.62 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.388 -0.82 . . . . 0.0 110.455 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.1 m -102.97 -176.13 3.0 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.619 -0.675 . . . . 0.0 110.274 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.57 -21.82 62.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.665 -0.647 . . . . 0.0 110.675 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -69.55 -29.98 67.68 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.394 -0.816 . . . . 0.0 109.933 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -99.94 -41.83 7.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.586 -0.697 . . . . 0.0 110.023 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -60.22 -23.86 64.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.663 -0.648 . . . . 0.0 110.384 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.7 p -63.6 -31.55 72.76 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.441 -0.787 . . . . 0.0 110.278 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -69.15 -30.39 68.62 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.57 -0.706 . . . . 0.0 110.185 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -88.55 -28.79 20.51 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.571 -0.706 . . . . 0.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -79.17 -28.91 42.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.617 -0.677 . . . . 0.0 110.149 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -76.23 -29.14 57.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.623 -0.673 . . . . 0.0 110.147 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.9 mmt -81.63 -29.78 33.08 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.601 -0.687 . . . . 0.0 110.144 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 13' ' ' MET . . . -81.09 -29.4 34.91 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.642 -0.661 . . . . 0.0 110.154 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -72.9 -30.0 63.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.622 -0.674 . . . . 0.0 110.135 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -63.89 -37.78 88.65 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.606 -0.684 . . . . 0.0 110.054 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -87.3 -29.29 21.71 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.626 -0.672 . . . . 0.0 110.127 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.73 -30.11 65.26 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.666 -0.646 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.84 -29.09 22.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.66 -0.65 . . . . 0.0 110.246 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -63.17 -31.05 72.1 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.499 -0.751 . . . . 0.0 110.109 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -63.92 -29.38 70.56 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.53 -0.732 . . . . 0.0 110.083 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.93 46.66 1.18 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.543 -0.723 . . . . 0.0 110.211 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -152.1 -44.59 0.11 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.652 -0.655 . . . . 0.0 110.224 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.34 -29.45 62.67 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.573 -0.705 . . . . 0.0 110.188 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 56.3 mmm -85.35 -48.92 8.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.54 -0.725 . . . . 0.0 110.174 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -106.03 107.18 18.05 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.614 -0.679 . . . . 0.0 110.251 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.193 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.168 0.509 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.25 -87.75 1.56 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.44 109.9 21.95 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.561 -0.964 . . . . 0.0 110.209 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.65 -31.25 8.38 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -86.6 164.57 36.9 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.558 -0.966 . . . . 0.0 110.259 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -73.11 -43.15 0.78 Allowed 'Trans proline' 0 C--N 1.318 -1.076 0 O-C-N 123.35 1.184 . . . . 0.0 110.056 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.82 88.58 2.58 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.864 -0.523 . . . . 0.0 110.219 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -160.56 143.01 9.58 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.585 -0.697 . . . . 0.0 110.192 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.88 158.07 46.78 Favored 'Trans proline' 0 C--N 1.319 -1.021 0 O-C-N 123.303 1.159 . . . . 0.0 110.368 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -65.42 -178.39 0.51 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.623 -0.673 . . . . 0.0 110.211 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.24 177.4 52.97 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -169.17 1.67 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.59 -0.947 . . . . 0.0 110.158 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 61.6 mtt -103.01 -168.52 1.53 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.592 -0.692 . . . . 0.0 110.167 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.0 t -162.87 178.84 8.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.622 -0.674 . . . . 0.0 110.225 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -63.03 -29.07 70.53 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.545 -0.722 . . . . 0.0 110.227 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -76.51 -30.6 57.25 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.53 -0.731 . . . . 0.0 110.204 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.98 -29.37 39.53 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.709 . . . . 0.0 110.14 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -81.0 -29.25 35.22 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.576 -0.702 . . . . 0.0 110.121 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -62.19 -47.31 85.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.621 -0.674 . . . . 0.0 109.943 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.47 -35.03 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.585 -0.697 . . . . 0.0 109.803 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -66.2 -58.61 5.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.518 -0.739 . . . . 0.0 109.969 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.6 m -63.14 -29.61 70.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.516 -0.74 . . . . 0.0 109.996 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 m -75.87 -29.87 58.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.615 -0.678 . . . . 0.0 110.101 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -78.25 -35.53 48.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.574 -0.704 . . . . 0.0 110.054 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.85 -50.18 73.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.602 -0.687 . . . . 0.0 109.893 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -61.48 -27.15 68.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.688 -0.633 . . . . 0.0 110.11 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -68.49 -28.95 67.47 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.473 -0.767 . . . . 0.0 110.089 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -80.66 60.22 3.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.587 -0.696 . . . . 0.0 110.156 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -152.88 -44.65 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.61 -0.681 . . . . 0.0 110.038 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 13.6 ptpt -119.83 31.66 6.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.679 -0.638 . . . . 0.0 110.246 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 84.3 m-70 -146.08 60.17 6.14 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.682 -0.636 . . . . 0.0 110.021 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.81 -48.1 0.31 Allowed 'Trans proline' 0 C--N 1.317 -1.08 0 O-C-N 123.298 1.157 . . . . 0.0 110.538 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -94.75 59.85 2.44 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.566 -0.708 . . . . 0.0 110.244 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 t -152.27 -158.83 0.94 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.552 -0.717 . . . . 0.0 110.235 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 m -154.53 161.28 41.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.616 -0.678 . . . . 0.0 110.017 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.3 p -158.37 68.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.574 -0.704 . . . . 0.0 110.439 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -60.43 176.18 0.38 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.49 -0.756 . . . . 0.0 109.618 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -66.78 -42.43 86.05 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.275 -0.891 . . . . 0.0 110.335 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.38 -43.42 70.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.256 -0.903 . . . . 0.0 110.726 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.02 -16.29 59.32 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.178 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -112.06 -43.7 3.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.259 -0.9 . . . . 0.0 110.81 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 86.2 p -55.8 -23.22 28.81 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.433 -0.792 . . . . 0.0 109.984 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -86.61 -26.74 24.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.485 -0.759 . . . . 0.0 110.186 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -84.4 -40.68 17.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.484 -0.76 . . . . 0.0 110.759 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.3 p -57.98 -30.29 65.92 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.4 -0.813 . . . . 0.0 110.318 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.0 p -70.97 -36.31 72.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.691 -0.631 . . . . 0.0 109.932 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.16 -25.03 63.55 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.64 -0.662 . . . . 0.0 110.208 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -102.73 -31.48 10.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.513 -0.742 . . . . 0.0 110.046 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -71.86 -29.63 64.58 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.638 -0.664 . . . . 0.0 110.1 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.87 -27.47 61.93 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.558 -0.714 . . . . 0.0 110.18 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 t -112.25 4.09 17.55 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.774 . . . . 0.0 111.165 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -168.68 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.203 -0.935 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 m -128.43 152.1 48.6 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.608 -0.683 . . . . 0.0 110.238 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' HA ' ' CG ' ' A' ' 57' ' ' LYS . . . -51.93 -26.12 9.68 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.608 -0.683 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -76.58 -29.77 56.75 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.538 -0.726 . . . . 0.0 110.078 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -81.01 -28.73 35.34 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.607 -0.683 . . . . 0.0 110.19 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 13.6 ptmt -97.36 4.18 50.81 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.625 -0.672 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.1 p -65.85 -29.09 69.49 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.125 -0.984 . . . . 0.0 110.062 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -78.27 -29.61 48.09 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.544 -0.722 . . . . 0.0 110.096 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -85.25 -30.48 23.79 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.579 -0.7 . . . . 0.0 110.126 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.83 -29.25 65.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.636 -0.665 . . . . 0.0 110.124 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.4 -28.56 26.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.613 -0.679 . . . . 0.0 110.227 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 69.2 mmm -77.57 -28.73 51.81 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.582 -0.699 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.8 -28.99 40.17 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.542 -0.724 . . . . 0.0 110.22 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -81.13 -28.63 35.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.532 -0.73 . . . . 0.0 110.247 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.1 t -74.49 -29.89 61.6 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.587 -0.696 . . . . 0.0 110.127 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.8 -31.5 23.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.613 -0.68 . . . . 0.0 110.19 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.15 -28.64 68.94 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.606 -0.684 . . . . 0.0 110.212 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.44 -29.27 66.94 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.609 -0.682 . . . . 0.0 110.221 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 ttt85 -65.91 -30.74 71.38 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.541 -0.724 . . . . 0.0 110.126 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -65.52 -26.41 67.89 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.606 -0.684 . . . . 0.0 110.365 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.29 -37.39 80.36 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.533 -0.729 . . . . 0.0 110.32 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -118.13 52.03 1.04 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.59 -0.694 . . . . 0.0 110.21 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -100.4 -49.15 4.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.538 -0.726 . . . . 0.0 110.19 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.3 mmt -110.47 37.06 2.85 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.513 -0.742 . . . . 0.0 110.257 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -100.18 -39.09 8.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.599 -0.688 . . . . 0.0 110.216 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.198 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtm . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.124 0.488 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.6 125.58 8.56 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -158.14 41.46 0.27 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.517 -0.99 . . . . 0.0 110.05 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.0 -50.01 3.39 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.31 161.47 23.23 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.576 -0.955 . . . . 0.0 110.239 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.68 -43.66 0.61 Allowed 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.375 1.197 . . . . 0.0 110.215 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.35 47.26 2.51 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.18 0.514 . . . . 0.0 110.359 -178.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -156.83 150.21 18.9 Favored Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.493 -0.754 . . . . 0.0 110.121 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.69 178.34 6.44 Favored 'Trans proline' 0 C--N 1.318 -1.046 0 O-C-N 123.324 1.17 . . . . 0.0 110.511 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -96.55 176.03 6.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.619 -0.676 . . . . 0.0 110.178 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.61 159.62 38.23 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -81.23 -176.01 5.75 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.578 -0.954 . . . . 0.0 110.179 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.1 mtt -153.21 118.76 5.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.57 -0.706 . . . . 0.0 110.158 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -78.44 179.93 6.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.562 -0.711 . . . . 0.0 110.057 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p -70.29 -28.47 65.22 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.689 -0.632 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -73.51 -32.2 64.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.537 -0.727 . . . . 0.0 110.128 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.9 -46.65 64.96 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.596 -0.69 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.47 -29.16 70.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.636 -0.665 . . . . 0.0 110.098 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.67 -61.35 2.57 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.575 -0.703 . . . . 0.0 110.07 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.0 -29.94 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.55 -0.719 . . . . 0.0 109.744 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -68.43 -50.28 53.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.647 -0.658 . . . . 0.0 110.016 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.0 m -66.56 -29.17 69.19 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.579 -0.701 . . . . 0.0 110.023 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -80.66 -21.18 41.62 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.599 -0.688 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -45.05 65.52 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.402 -0.811 . . . . 0.0 109.684 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -65.93 -43.84 86.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.753 -0.592 . . . . 0.0 109.821 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.44 -26.11 67.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.655 -0.653 . . . . 0.0 110.041 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.517 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 41.2 t60 -96.48 38.88 1.18 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.549 -0.72 . . . . 0.0 110.068 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.3 tttt -124.24 33.56 5.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.386 -0.821 . . . . 0.0 110.649 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.61 -60.42 1.85 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.808 . . . . 0.0 110.214 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.15 64.89 0.64 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.564 -0.71 . . . . 0.0 110.202 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.517 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 16.6 m80 -145.38 60.56 6.95 Favored Pre-proline 0 N--CA 1.501 2.086 0 O-C-N 121.287 -0.883 . . . . 0.0 109.916 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.5 -50.12 0.25 Allowed 'Trans proline' 0 C--N 1.317 -1.131 0 O-C-N 123.248 1.131 . . . . 0.0 110.369 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -122.47 48.32 1.78 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.556 -0.715 . . . . 0.0 110.194 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 t -95.02 -20.58 19.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.676 -0.64 . . . . 0.0 110.734 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 p 52.26 42.17 30.72 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.371 -0.831 . . . . 0.0 110.805 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.9 p -71.89 69.2 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.58 -0.7 . . . . 0.0 110.349 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -58.88 -177.9 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.385 -0.822 . . . . 0.0 109.763 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -67.36 -42.74 82.96 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.22 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.509 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -71.5 -41.86 68.74 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.182 -0.949 . . . . 0.0 110.535 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -15.82 58.95 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.021 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' HB2' HG22 ' A' ' 36' ' ' VAL . 23.9 t80 -113.38 -45.82 3.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 110.893 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.509 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 84.9 p -56.41 -24.0 42.07 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.533 -0.729 . . . . 0.0 110.216 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -76.22 -30.0 57.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.641 -0.662 . . . . 0.0 109.733 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -85.13 -43.11 14.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.575 -0.703 . . . . 0.0 110.196 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 50.8 m -61.31 -29.78 70.09 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.538 -0.726 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -69.98 -34.44 73.36 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.574 -0.704 . . . . 0.0 109.809 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.5 -28.55 69.92 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.624 -0.672 . . . . 0.0 110.017 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -93.05 -40.43 10.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.592 -0.692 . . . . 0.0 109.952 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -61.93 -45.36 94.03 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.589 -0.694 . . . . 0.0 109.817 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -67.23 -27.27 67.09 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.565 -0.709 . . . . 0.0 110.388 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -103.48 3.27 34.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.522 -0.736 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.0 mmm -69.03 141.6 54.79 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.126 -0.984 . . . . 0.0 110.166 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.0 m -66.65 153.21 43.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.537 -0.727 . . . . 0.0 110.266 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.93 67.95 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.652 -0.655 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -73.67 -28.37 61.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.582 -0.699 . . . . 0.0 110.161 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.47 -52.4 7.29 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.591 -0.693 . . . . 0.0 110.148 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -62.1 -18.69 61.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.563 -0.71 . . . . 0.0 110.815 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.8 p -55.79 -27.14 49.59 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.233 -0.917 . . . . 0.0 110.628 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -75.7 -29.45 58.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.567 -0.708 . . . . 0.0 110.081 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -85.08 -29.48 24.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.587 -0.696 . . . . 0.0 110.092 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -76.68 -29.57 56.38 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.626 -0.671 . . . . 0.0 110.137 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.26 -29.15 42.47 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.556 -0.715 . . . . 0.0 110.118 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.5 mtp -78.96 -30.2 44.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.601 -0.687 . . . . 0.0 110.096 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.8 46.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.648 -0.657 . . . . 0.0 110.1 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -73.25 -29.8 63.02 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 110.104 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.1 t -62.91 -35.83 81.35 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.576 -0.702 . . . . 0.0 110.048 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.1 -30.94 23.62 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.615 -0.678 . . . . 0.0 110.09 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -70.32 -33.57 71.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.569 -0.707 . . . . 0.0 110.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.3 -29.53 28.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.587 -0.696 . . . . 0.0 110.181 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -69.47 -28.54 66.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.52 -0.738 . . . . 0.0 110.182 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.08 -29.62 69.85 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.591 -0.693 . . . . 0.0 110.157 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -96.9 37.48 1.3 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.667 -0.645 . . . . 0.0 110.218 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -150.83 -59.95 0.18 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.557 -0.715 . . . . 0.0 110.281 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -68.99 -33.18 73.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.619 -0.676 . . . . 0.0 110.256 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -30.28 58.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.527 -0.733 . . . . 0.0 110.219 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -87.11 176.93 7.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.59 -0.694 . . . . 0.0 110.193 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 t30 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.214 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtp . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.051 0.453 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.06 -172.55 36.57 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttp 52.95 46.86 25.92 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.412 -1.052 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.83 169.48 26.14 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.44 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.22 -60.36 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.527 -0.984 . . . . 0.0 110.371 179.781 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.3 Cg_endo -73.2 -43.17 0.76 Allowed 'Trans proline' 0 N--CA 1.487 1.094 0 O-C-N 123.02 1.01 . . . . 0.0 110.225 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.48 -49.65 1.65 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.953 -0.467 . . . . 0.0 110.333 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -76.82 145.0 73.7 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.497 -0.752 . . . . 0.0 110.128 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.03 170.26 20.22 Favored 'Trans proline' 0 C--N 1.318 -1.07 0 O-C-N 123.353 1.186 . . . . 0.0 110.457 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -167.27 41.45 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.57 -0.706 . . . . 0.0 110.157 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.62 162.11 36.82 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -91.07 -168.21 2.01 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.643 -0.916 . . . . 0.0 110.179 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.9 ttm -160.85 -162.76 0.96 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.586 -0.697 . . . . 0.0 110.139 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 t -146.25 178.34 8.32 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.579 -0.7 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -70.45 -28.57 65.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.52 -0.738 . . . . 0.0 110.164 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -69.72 -28.4 65.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.555 -0.716 . . . . 0.0 110.197 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.9 -31.42 56.72 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.552 -0.717 . . . . 0.0 110.113 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -82.74 -28.83 30.18 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.543 -0.723 . . . . 0.0 110.246 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -66.26 -38.63 88.29 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 0.0 110.141 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.9 t -80.27 -33.15 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.528 -0.733 . . . . 0.0 109.951 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -69.5 -29.14 66.71 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.551 -0.718 . . . . 0.0 110.198 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.8 m -84.26 -29.38 26.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.587 -0.696 . . . . 0.0 110.224 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 m -89.71 -29.37 18.79 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.605 -0.684 . . . . 0.0 110.188 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.83 -37.65 58.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.524 -0.735 . . . . 0.0 110.059 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -66.34 -33.62 76.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.603 -0.686 . . . . 0.0 110.06 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -88.96 -0.07 57.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.49 -0.757 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -86.4 -53.32 5.07 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.187 -0.946 . . . . 0.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -58.62 -28.3 65.51 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.601 -0.687 . . . . 0.0 110.467 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -62.49 -27.02 68.84 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.572 -0.705 . . . . 0.0 110.271 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 14.3 ptpt -128.54 16.88 6.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.487 -0.758 . . . . 0.0 111.137 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.435 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 59.5 m-70 -143.42 58.86 6.88 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.292 -0.88 . . . . 0.0 110.075 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.04 -30.33 10.93 Favored 'Trans proline' 0 C--N 1.316 -1.14 0 O-C-N 123.34 1.179 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -82.6 -44.96 15.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.595 -0.691 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 p -79.9 147.72 31.56 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.609 -0.682 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.9 t -92.17 -177.59 4.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.66 -0.65 . . . . 0.0 110.178 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.8 p -167.4 65.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.546 -0.721 . . . . 0.0 110.208 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -58.63 -174.34 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.495 -0.753 . . . . 0.0 109.594 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -72.62 -41.72 65.24 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.399 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.89 -44.13 70.36 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.208 -0.932 . . . . 0.0 110.944 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.95 -16.19 58.46 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.177 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -112.3 -43.39 3.53 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.889 . . . . 0.0 110.927 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.4 p -57.81 -21.39 41.89 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.533 -0.729 . . . . 0.0 110.077 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -87.87 -27.28 22.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.535 -0.728 . . . . 0.0 110.498 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -85.11 -38.23 19.33 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.56 -0.713 . . . . 0.0 110.745 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.9 p -59.72 -32.21 70.33 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.356 -0.84 . . . . 0.0 110.38 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -35.4 80.15 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.615 -0.678 . . . . 0.0 110.36 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.47 -30.12 70.4 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.457 -0.777 . . . . 0.0 109.986 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -94.63 -30.98 14.05 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.646 -0.659 . . . . 0.0 110.022 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -70.28 -47.07 62.85 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.684 -0.635 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -67.34 -27.27 66.99 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.568 -0.708 . . . . 0.0 110.31 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.5 p -85.59 -24.33 27.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.496 -0.752 . . . . 0.0 110.603 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.7 mmm -58.18 154.23 13.48 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.423 -0.798 . . . . 0.0 110.403 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.5 p -97.53 175.8 6.09 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.559 -0.713 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.12 -26.47 64.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.698 -0.626 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -68.83 -31.35 70.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.437 -0.789 . . . . 0.0 109.748 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -96.12 -42.28 8.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.651 -0.656 . . . . 0.0 109.78 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -61.23 -23.95 66.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.732 -0.605 . . . . 0.0 110.296 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.1 p -62.83 -30.78 71.75 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.47 -0.769 . . . . 0.0 110.207 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -61.98 -30.12 70.72 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.505 -0.747 . . . . 0.0 110.194 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -89.84 -28.9 18.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.621 -0.674 . . . . 0.0 110.188 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.89 -29.96 35.59 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.57 -0.706 . . . . 0.0 110.147 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -73.97 -28.75 61.64 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.599 -0.688 . . . . 0.0 110.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.2 mtm -83.92 -29.04 27.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.552 -0.717 . . . . 0.0 110.199 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.27 -38.09 43.5 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.61 -0.681 . . . . 0.0 110.145 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -66.15 -29.16 69.4 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.582 -0.699 . . . . 0.0 110.145 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 t -65.02 -53.76 40.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.5 -0.75 . . . . 0.0 110.153 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.88 -28.83 62.73 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.555 -0.715 . . . . 0.0 110.173 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -68.82 -28.63 66.92 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.527 -0.733 . . . . 0.0 110.228 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.74 -27.78 13.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.601 -0.687 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -60.51 -33.38 72.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.536 -0.728 . . . . 0.0 110.272 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.62 -27.64 68.81 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.588 -0.695 . . . . 0.0 110.269 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.51 -28.28 46.25 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.563 -0.71 . . . . 0.0 110.275 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 -111.12 36.9 3.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.583 -0.698 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -131.09 -43.49 1.06 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.505 -0.747 . . . . 0.0 110.182 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 76.2 mmm -87.79 -28.73 21.5 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.634 -0.666 . . . . 0.0 110.24 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -80.82 -49.35 11.2 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.598 -0.689 . . . . 0.0 110.197 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.174 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.006 0.432 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.58 100.32 0.2 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -93.34 -48.69 6.3 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.564 -0.962 . . . . 0.0 110.23 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.59 -135.09 6.97 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -152.14 57.6 2.26 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.597 -0.943 . . . . 0.0 110.179 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.08 -42.74 0.9 Allowed 'Trans proline' 0 C--N 1.316 -1.146 0 O-C-N 123.358 1.189 . . . . 0.0 110.122 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.76 -51.77 0.51 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.907 -0.496 . . . . 0.0 110.195 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -97.53 161.38 26.1 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.616 -0.678 . . . . 0.0 110.324 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.75 -165.39 0.23 Allowed 'Trans proline' 0 C--N 1.317 -1.09 0 O-C-N 123.431 1.227 . . . . 0.0 110.352 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -79.8 149.04 31.18 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.644 -0.66 . . . . 0.0 110.175 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.87 136.87 23.42 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -63.8 172.79 2.04 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.557 -0.967 . . . . 0.0 110.21 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.443 ' CB ' ' CE2' ' A' ' 18' ' ' PHE . 12.1 mtt -158.56 114.82 2.72 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.596 -0.69 . . . . 0.0 110.164 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -69.61 -178.98 1.58 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.583 -0.698 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.2 p -69.94 -29.1 66.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.542 -0.723 . . . . 0.0 110.161 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -75.81 -29.23 58.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.566 -0.708 . . . . 0.0 110.082 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.54 -30.53 52.83 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.601 -0.687 . . . . 0.0 110.03 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.443 ' CE2' ' CB ' ' A' ' 13' ' ' MET . 4.3 m-85 -76.89 -29.37 55.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.661 -0.649 . . . . 0.0 110.016 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.77 -54.5 38.11 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.541 -0.725 . . . . 0.0 110.139 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.2 -31.55 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.598 -0.689 . . . . 0.0 109.791 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -70.45 -47.83 58.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.709 . . . . 0.0 109.903 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.7 m -75.69 -29.62 59.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.521 -0.737 . . . . 0.0 110.006 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -72.44 -26.56 61.89 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.589 -0.694 . . . . 0.0 110.213 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -67.92 -46.49 71.39 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.573 -0.705 . . . . 0.0 109.576 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.32 -42.15 98.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.708 -0.62 . . . . 0.0 109.508 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -62.3 -24.15 67.14 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.72 -0.612 . . . . 0.0 109.919 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 46.1 t60 -96.1 37.6 1.23 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.502 -0.749 . . . . 0.0 109.964 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.0 tttt -127.33 40.5 3.69 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.25 -0.906 . . . . 0.0 110.535 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -125.86 -45.02 1.76 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.47 -0.769 . . . . 0.0 110.172 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.43 61.05 1.39 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.646 -0.659 . . . . 0.0 110.034 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.525 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 17.5 m80 -144.99 53.58 2.09 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.355 -0.841 . . . . 0.0 109.828 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.04 -50.67 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 O-C-N 123.326 1.172 . . . . 0.0 110.532 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -91.49 -28.53 17.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.632 -0.668 . . . . 0.0 110.226 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 m -79.66 124.33 28.46 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.61 -0.681 . . . . 0.0 110.238 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.6 m -88.29 -178.6 5.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.609 -0.682 . . . . 0.0 110.043 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.6 p -167.69 60.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.582 -0.699 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -58.19 -175.13 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.31 -0.869 . . . . 0.0 109.678 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' SER . 98.6 m-85 -64.65 -60.58 2.95 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.419 -0.8 . . . . 0.0 111.071 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.78 -55.2 24.65 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.381 -0.824 . . . . 0.0 112.297 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -52.9 -24.36 9.04 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.218 -0.926 . . . . 0.0 110.3 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -104.01 -14.54 15.9 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.626 -0.671 . . . . 0.0 110.758 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' PHE . 13.5 p -79.04 -26.71 43.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.354 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -86.37 -26.44 24.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.708 -0.62 . . . . 0.0 110.189 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -83.62 -42.71 16.42 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.546 -0.722 . . . . 0.0 110.703 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -58.25 -33.05 68.94 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.39 -0.819 . . . . 0.0 110.505 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.7 p -65.11 -37.05 86.21 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.68 -0.638 . . . . 0.0 110.014 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -62.87 -32.12 73.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.63 -0.668 . . . . 0.0 109.981 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.28 -42.02 12.53 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.607 -0.683 . . . . 0.0 109.996 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -63.43 -32.84 74.4 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.595 -0.691 . . . . 0.0 110.026 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -77.29 -29.1 53.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.566 -0.709 . . . . 0.0 110.145 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.4 p -92.11 -17.63 24.69 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.592 -0.692 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.4 mmm -56.22 164.4 1.31 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.298 -0.876 . . . . 0.0 110.529 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -107.24 175.24 5.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.632 -0.668 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.91 -24.77 65.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.564 -0.71 . . . . 0.0 110.551 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -68.57 -30.57 69.36 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.379 -0.826 . . . . 0.0 109.901 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -96.22 -44.92 7.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.683 -0.635 . . . . 0.0 109.948 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -61.56 -23.24 65.84 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.693 -0.629 . . . . 0.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 p -67.51 -31.57 71.79 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.416 -0.803 . . . . 0.0 110.292 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -65.69 -29.11 69.61 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.465 -0.772 . . . . 0.0 110.184 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -86.74 -29.38 22.41 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.67 -0.644 . . . . 0.0 110.301 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -67.84 -29.41 68.54 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.615 -0.678 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.81 -28.28 44.5 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.572 -0.705 . . . . 0.0 110.284 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.5 mtt -70.05 -30.76 68.12 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.513 -0.742 . . . . 0.0 110.243 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.66 -42.33 22.26 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.667 -0.646 . . . . 0.0 110.153 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -28.48 69.2 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.547 -0.72 . . . . 0.0 110.232 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 t -61.41 -46.72 88.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 0.0 110.186 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.97 -29.88 39.64 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.57 -0.706 . . . . 0.0 110.153 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -62.3 -28.84 70.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.582 -0.698 . . . . 0.0 110.148 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.83 -28.88 20.11 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.586 -0.696 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -78.9 -28.67 44.02 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.61 -0.681 . . . . 0.0 110.212 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -61.51 -29.47 70.01 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.567 -0.708 . . . . 0.0 110.205 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -98.4 47.87 0.99 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.576 -0.703 . . . . 0.0 110.222 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -158.18 -43.73 0.06 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.572 -0.705 . . . . 0.0 110.249 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.64 -23.7 34.14 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.552 -0.717 . . . . 0.0 110.542 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.74 40.49 1.09 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.38 -0.825 . . . . 0.0 110.336 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -122.7 157.75 31.6 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.584 -0.697 . . . . 0.0 110.176 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.5 m120 . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.259 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 mtp . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.053 0.454 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.17 83.51 0.05 OUTLIER Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -100.75 -175.23 2.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.609 -0.936 . . . . 0.0 110.199 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.31 157.29 44.12 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.52 164.13 23.1 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.602 -0.94 . . . . 0.0 110.16 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -73.39 -43.39 0.69 Allowed 'Trans proline' 0 C--N 1.317 -1.11 0 O-C-N 123.394 1.207 . . . . 0.0 110.104 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.85 42.91 2.9 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.267 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -142.86 148.06 44.27 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.503 -0.748 . . . . 0.0 110.136 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.81 160.97 45.0 Favored 'Trans proline' 0 C--N 1.317 -1.082 0 O-C-N 123.393 1.207 . . . . 0.0 110.374 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -103.95 30.45 5.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.657 -0.652 . . . . 0.0 110.262 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.79 -141.31 15.41 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -130.5 -167.15 1.78 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.962 . . . . 0.0 110.151 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -131.95 118.23 19.5 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.605 -0.684 . . . . 0.0 110.179 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.483 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 6.3 t -91.07 179.09 5.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.563 -0.711 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.1 p -69.06 -27.62 65.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.606 -0.684 . . . . 0.0 110.333 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -60.48 -28.35 68.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 110.229 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -29.42 51.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 110.169 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -82.63 -28.92 30.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.642 -0.661 . . . . 0.0 110.169 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 52.9 t80 -66.35 -56.14 12.56 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.0 110.04 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.28 -28.85 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.531 -0.731 . . . . 0.0 109.852 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -71.55 -47.69 53.37 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.606 -0.684 . . . . 0.0 110.149 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -65.27 -29.43 70.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.609 -0.682 . . . . 0.0 110.186 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.6 m -84.35 -27.99 27.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.532 -0.73 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.33 -39.05 65.55 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.608 -0.682 . . . . 0.0 110.125 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -61.94 -54.6 39.52 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.65 -0.656 . . . . 0.0 110.067 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.75 -28.77 68.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.605 -0.684 . . . . 0.0 110.198 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 38.5 t60 -69.5 -35.3 75.4 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.661 -0.649 . . . . 0.0 110.138 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -63.82 -58.67 6.1 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.608 -0.683 . . . . 0.0 110.39 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -58.68 -24.97 62.34 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.484 -0.76 . . . . 0.0 110.514 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HG2' ' NE2' ' A' ' 31' ' ' HIS . 1.4 tttm -91.81 -21.29 20.74 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.575 -0.703 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' NE2' ' HG2' ' A' ' 30' ' ' LYS . 91.3 m-70 -131.52 85.79 51.52 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 121.284 -0.885 . . . . 0.0 110.043 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.95 -29.4 10.22 Favored 'Trans proline' 0 C--N 1.317 -1.111 0 O-C-N 123.484 1.255 . . . . 0.0 110.789 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -124.0 73.08 1.2 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.483 -0.761 . . . . 0.0 110.492 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -160.32 134.79 7.47 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.562 -0.711 . . . . 0.0 110.125 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.8 p -81.75 131.95 35.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.58 -0.7 . . . . 0.0 110.022 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.1 p -144.07 66.8 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.642 -0.661 . . . . 0.0 110.43 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -59.98 -167.67 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.365 -0.834 . . . . 0.0 109.586 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -71.0 -41.08 71.42 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.451 -0.9 . . . . 0.0 110.886 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.423 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -72.18 -44.01 63.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.109 -0.995 . . . . 0.0 110.999 -179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -61.89 -16.65 52.33 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.081 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.484 ' HB2' HG22 ' A' ' 36' ' ' VAL . 19.8 t80 -112.57 -48.11 3.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.372 -0.83 . . . . 0.0 111.257 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.423 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 80.9 p -55.81 -24.08 33.95 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.336 -0.852 . . . . 0.0 110.392 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.75 -28.74 67.07 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.596 -0.69 . . . . 0.0 109.9 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -91.28 -46.39 8.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.534 -0.729 . . . . 0.0 110.3 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 68.9 m -61.17 -28.87 69.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.498 -0.751 . . . . 0.0 110.144 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 p -64.58 -40.53 95.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.55 -0.719 . . . . 0.0 110.004 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.42 -28.82 70.24 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.611 -0.681 . . . . 0.0 110.162 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -88.83 -43.82 10.94 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.526 -0.734 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.428 ' CH2' ' HB2' ' A' ' 57' ' ' LYS . 60.2 t-105 -61.07 -49.69 76.3 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.561 -0.712 . . . . 0.0 110.316 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -63.27 -26.11 68.63 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.609 -0.682 . . . . 0.0 110.523 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.5 p -89.72 -26.06 20.85 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.56 -0.713 . . . . 0.0 110.56 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.3 mmm -59.67 130.29 46.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.476 -0.765 . . . . 0.0 110.345 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.5 m -79.62 157.92 27.19 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.557 -0.714 . . . . 0.0 110.03 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.39 -26.67 8.23 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.489 -0.757 . . . . 0.0 110.908 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -73.34 -27.22 61.39 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.607 -0.683 . . . . 0.0 110.013 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -90.14 -35.54 15.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.51 -0.743 . . . . 0.0 110.221 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 51.3 pttt -95.63 28.68 2.9 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.521 -0.737 . . . . 0.0 110.543 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.4 p -79.79 -29.48 40.38 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.492 -0.755 . . . . 0.0 110.227 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -73.31 -29.51 62.75 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.524 -0.735 . . . . 0.0 110.115 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -81.59 -31.42 32.56 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.56 -0.713 . . . . 0.0 110.122 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -77.27 -28.63 53.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.621 -0.674 . . . . 0.0 110.239 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -78.7 -28.84 45.19 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.642 -0.661 . . . . 0.0 110.16 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.6 mmt -79.94 -29.67 39.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.637 -0.664 . . . . 0.0 110.158 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -77.27 -36.52 54.24 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.555 -0.716 . . . . 0.0 110.125 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -66.76 -28.97 68.83 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 t -61.28 -39.63 91.11 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.612 -0.68 . . . . 0.0 110.162 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.53 -28.63 20.65 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.634 -0.666 . . . . 0.0 110.199 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -66.72 -32.43 73.74 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.475 -0.766 . . . . 0.0 110.201 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.69 -28.99 36.55 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.518 -0.739 . . . . 0.0 110.153 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -63.12 -28.67 70.23 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.546 -0.722 . . . . 0.0 110.182 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -61.16 -27.61 68.53 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.605 -0.684 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.28 -36.98 79.09 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.526 -0.734 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.7 mtt-85 -105.82 41.23 1.42 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.537 -0.727 . . . . 0.0 110.103 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -113.69 -59.05 2.07 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.606 -0.683 . . . . 0.0 110.255 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.9 mmt -107.12 -33.21 7.52 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.639 -0.663 . . . . 0.0 110.202 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -88.05 124.27 33.59 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.541 -0.724 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.179 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.061 0.458 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.82 -157.06 26.2 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.8 tttt 52.88 38.83 27.88 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.428 -1.042 . . . . 0.0 110.816 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.65 -31.16 50.99 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.77 167.09 11.07 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.547 -0.972 . . . . 0.0 110.232 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.5 -43.21 0.7 Allowed 'Trans proline' 0 C--N 1.317 -1.089 0 O-C-N 123.461 1.243 . . . . 0.0 110.105 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.79 44.68 2.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.845 -0.534 . . . . 0.0 110.181 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -161.3 91.08 1.51 Allowed Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.555 -0.716 . . . . 0.0 110.161 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.61 161.44 44.01 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 123.413 1.218 . . . . 0.0 110.387 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.11 113.95 6.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.565 -0.709 . . . . 0.0 110.241 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.09 45.22 0.45 Allowed Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -106.46 -168.96 1.49 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.482 -1.011 . . . . 0.0 110.174 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.4 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 7.4 mmt -131.04 178.28 6.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.625 -0.672 . . . . 0.0 110.216 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -154.86 44.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.592 -0.693 . . . . 0.0 110.229 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p 67.23 -60.58 0.37 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.682 -0.636 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -60.67 -28.25 68.45 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.173 -0.955 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -29.42 61.12 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.465 -0.772 . . . . 0.0 110.179 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.4 ' CE2' ' HG3' ' A' ' 13' ' ' MET . 3.8 m-85 -81.19 -28.76 34.82 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.528 -0.733 . . . . 0.0 110.15 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.04 -49.92 68.27 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.605 -0.684 . . . . 0.0 110.157 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.61 -28.53 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.587 -0.695 . . . . 0.0 109.926 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -74.35 -28.57 61.19 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.467 -0.771 . . . . 0.0 110.206 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 m -94.87 -27.82 15.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.621 -0.675 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 m -81.36 -28.28 34.52 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.546 -0.721 . . . . 0.0 110.284 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -73.65 -37.02 65.44 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.533 -0.729 . . . . 0.0 110.199 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.43 -50.67 64.56 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.528 -0.732 . . . . 0.0 110.153 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.76 -24.04 66.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.613 -0.679 . . . . 0.0 110.411 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -73.26 -40.6 64.49 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.473 -0.767 . . . . 0.0 110.41 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -69.55 -20.05 63.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.553 -0.717 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -78.09 -24.5 47.58 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.313 -0.867 . . . . 0.0 110.855 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 10.4 ptpt -118.17 17.81 13.91 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.335 -0.853 . . . . 0.0 111.241 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 60.7 m-70 -144.16 79.21 13.16 Favored Pre-proline 0 N--CA 1.496 1.829 0 O-C-N 121.285 -0.885 . . . . 0.0 110.247 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.9 -42.51 0.77 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.404 1.213 . . . . 0.0 110.354 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -109.96 66.4 0.63 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.562 -0.711 . . . . 0.0 110.324 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -153.12 127.31 9.12 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.505 -0.747 . . . . 0.0 110.141 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.8 m -82.9 131.23 35.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.526 -0.734 . . . . 0.0 110.204 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 36' ' ' VAL . 12.9 p -141.56 65.25 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.597 -0.69 . . . . 0.0 110.332 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.0 -170.01 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.435 -0.791 . . . . 0.0 109.688 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' SER . 84.3 m-85 -68.38 -43.71 76.75 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 119.454 -0.899 . . . . 0.0 110.755 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -69.13 -45.5 70.0 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.025 -1.047 . . . . 0.0 111.241 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.55 -16.6 49.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.389 -0.819 . . . . 0.0 110.284 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.526 ' HB2' HG22 ' A' ' 36' ' ' VAL . 32.0 t80 -112.41 -44.34 3.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 0.0 111.003 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.487 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 88.6 p -56.63 -22.38 33.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.519 -0.738 . . . . 0.0 110.202 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -82.65 -25.02 33.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.522 -0.736 . . . . 0.0 110.505 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -84.66 -43.26 14.54 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.465 -0.772 . . . . 0.0 110.964 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -58.44 -29.15 65.93 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.359 -0.838 . . . . 0.0 110.431 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.3 p -67.1 -33.39 75.36 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.627 -0.671 . . . . 0.0 110.133 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.53 -33.88 71.67 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.51 -0.744 . . . . 0.0 110.077 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -28.2 19.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.647 -0.658 . . . . 0.0 110.095 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -74.78 -33.53 62.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.526 -0.734 . . . . 0.0 110.309 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -83.04 -27.91 29.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.461 -0.775 . . . . 0.0 110.414 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.6 p -81.48 -26.19 35.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.556 -0.715 . . . . 0.0 110.36 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 36.2 mtp -59.38 164.88 3.05 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.399 -0.813 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.4 t -100.86 175.83 5.49 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.586 -0.696 . . . . 0.0 110.278 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.73 -24.51 63.56 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.607 -0.683 . . . . 0.0 110.481 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.98 -31.44 71.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.479 -0.763 . . . . 0.0 109.832 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -94.93 -41.37 9.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.712 -0.618 . . . . 0.0 109.869 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -66.46 -21.23 66.19 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.725 -0.61 . . . . 0.0 110.434 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 p -73.18 -29.61 62.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.346 -0.846 . . . . 0.0 110.255 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -61.67 -29.19 69.92 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.587 -0.696 . . . . 0.0 110.093 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -83.25 -29.23 28.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.635 -0.665 . . . . 0.0 110.185 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.04 -28.95 57.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.57 -0.706 . . . . 0.0 110.216 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.05 -28.6 57.72 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.601 -0.687 . . . . 0.0 110.233 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.9 mmt -78.83 -29.47 44.72 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.499 -0.751 . . . . 0.0 110.182 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.28 52.95 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.567 -0.708 . . . . 0.0 110.169 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -67.18 -29.53 69.24 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.596 -0.69 . . . . 0.0 110.148 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 t -62.1 -38.56 89.35 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.59 -0.694 . . . . 0.0 110.081 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -85.48 -30.13 23.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.539 -0.726 . . . . 0.0 110.118 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -70.8 -33.2 70.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.576 -0.702 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.27 -28.12 56.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.608 -0.682 . . . . 0.0 110.258 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ttm-85 -95.34 23.57 5.77 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.475 -0.765 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -114.45 -26.11 8.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.398 -0.814 . . . . 0.0 110.531 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.25 -29.68 70.58 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.448 -0.782 . . . . 0.0 110.169 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.75 -33.53 68.75 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.565 -0.71 . . . . 0.0 110.173 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.63 -29.46 64.68 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.561 -0.712 . . . . 0.0 110.247 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 25.4 mtt -71.67 -29.21 64.35 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.554 -0.716 . . . . 0.0 110.227 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -66.13 153.56 42.03 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.623 -0.673 . . . . 0.0 110.098 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.223 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ttm . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.086 0.47 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.17 114.55 0.62 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -144.06 89.58 2.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.552 -0.969 . . . . 0.0 110.163 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.05 -33.69 4.85 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.38 172.79 0.04 OUTLIER Pre-proline 0 N--CA 1.502 2.132 0 O-C-N 121.486 -1.008 . . . . 0.0 110.679 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -74.44 -42.39 0.66 Allowed 'Trans proline' 0 C--N 1.318 -1.071 0 O-C-N 123.339 1.179 . . . . 0.0 110.346 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.9 -156.86 0.78 Allowed 'General case' 0 C--N 1.307 -1.257 0 O-C-N 121.789 -0.569 . . . . 0.0 109.749 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 mttp 57.51 166.21 0.07 OUTLIER Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.602 -0.687 . . . . 0.0 110.679 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.26 -165.89 0.29 Allowed 'Trans proline' 0 C--N 1.317 -1.083 0 O-C-N 123.313 1.165 . . . . 0.0 110.63 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -98.8 165.7 11.66 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.642 -0.661 . . . . 0.0 110.192 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.41 -169.52 26.07 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -108.62 -167.16 1.19 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.602 -0.94 . . . . 0.0 110.105 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 39.9 mtt -139.45 -168.21 2.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.635 -0.666 . . . . 0.0 110.108 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -146.66 178.35 8.38 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.576 -0.702 . . . . 0.0 110.121 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.2 p -77.39 -28.49 52.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.538 -0.726 . . . . 0.0 110.212 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -75.86 -29.17 58.44 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.523 -0.736 . . . . 0.0 110.201 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.39 -38.76 63.03 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.566 -0.709 . . . . 0.0 110.102 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.17 -29.04 65.83 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.627 -0.67 . . . . 0.0 110.039 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -61.73 -58.46 7.93 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.0 110.058 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.44 -36.69 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.571 -0.706 . . . . 0.0 109.706 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -63.64 -44.72 93.03 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.52 -0.738 . . . . 0.0 109.961 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.3 m -78.08 -29.46 49.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.585 -0.697 . . . . 0.0 110.029 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.1 m -74.76 -27.48 60.36 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.505 -0.747 . . . . 0.0 110.155 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.32 -43.55 66.81 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.499 -0.751 . . . . 0.0 109.674 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -62.72 -43.29 99.18 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.692 -0.63 . . . . 0.0 109.74 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -25.38 67.43 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.735 -0.603 . . . . 0.0 110.055 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.528 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 56.2 t60 -95.4 37.39 1.19 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.497 -0.752 . . . . 0.0 109.901 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 41.41 3.48 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.233 -0.917 . . . . 0.0 110.503 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -127.05 -42.55 1.72 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.486 -0.759 . . . . 0.0 110.066 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.24 61.08 1.6 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.67 -0.644 . . . . 0.0 109.956 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' A' ' 27' ' ' HIS . 17.8 m80 -144.79 53.72 2.23 Favored Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.388 -0.82 . . . . 0.0 109.799 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.4 Cg_endo -72.86 -50.54 0.21 Allowed 'Trans proline' 0 C--N 1.316 -1.138 0 O-C-N 123.354 1.186 . . . . 0.0 110.504 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -84.81 -28.06 26.38 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.526 -0.734 . . . . 0.0 110.377 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -87.56 129.51 35.07 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 0.0 110.191 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.5 p -91.86 -173.21 3.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.548 -0.72 . . . . 0.0 109.931 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.2 p -167.31 65.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.51 -0.744 . . . . 0.0 110.503 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -60.61 179.84 0.15 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.363 -0.836 . . . . 0.0 109.701 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -68.74 -45.08 72.4 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.328 -0.858 . . . . 0.0 110.19 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.25 -41.95 69.46 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.276 -0.89 . . . . 0.0 110.494 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -63.4 -16.09 59.5 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.964 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -112.39 -45.84 3.23 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.0 p -55.95 -23.62 33.15 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.637 -0.664 . . . . 0.0 110.117 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -79.47 -30.16 41.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.512 -0.743 . . . . 0.0 109.676 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -85.31 -43.42 13.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.665 -0.647 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.1 m -60.91 -29.41 69.58 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.48 -0.762 . . . . 0.0 109.986 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.7 p -67.72 -34.65 77.28 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.534 -0.729 . . . . 0.0 109.796 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.07 -29.34 70.48 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.695 -0.628 . . . . 0.0 109.972 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.2 ttt-85 -91.96 -35.53 13.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.632 -0.667 . . . . 0.0 110.052 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.404 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 72.2 t-105 -66.9 -48.82 67.54 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.628 -0.67 . . . . 0.0 110.046 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -66.39 -26.97 67.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.541 -0.725 . . . . 0.0 110.478 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.1 p -89.24 -27.14 20.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.471 -0.768 . . . . 0.0 110.386 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 mtp -59.76 153.8 19.64 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.486 -0.759 . . . . 0.0 110.245 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.5 t -100.97 -178.34 3.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.523 -0.736 . . . . 0.0 110.347 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.16 -21.28 65.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.649 -0.657 . . . . 0.0 110.714 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -68.98 -29.47 67.68 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.356 -0.84 . . . . 0.0 109.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -102.66 -39.37 7.08 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.646 -0.659 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 35.2 mtmt -70.03 -18.9 63.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.704 -0.623 . . . . 0.0 110.568 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 p -60.02 -30.16 68.97 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.388 -0.82 . . . . 0.0 110.391 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -66.87 -28.92 68.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.627 -0.67 . . . . 0.0 110.255 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.17 -28.66 21.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.602 -0.686 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.5 -28.64 63.01 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.517 -0.739 . . . . 0.0 110.178 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.66 -28.36 36.87 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.589 -0.694 . . . . 0.0 110.19 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 61.3 mtp -76.56 -31.41 57.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.6 -0.688 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.04 -39.25 61.1 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.563 -0.711 . . . . 0.0 110.123 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -65.08 -29.59 70.48 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.643 -0.661 . . . . 0.0 110.118 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -61.8 -39.27 91.14 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.574 -0.704 . . . . 0.0 110.091 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -83.25 -29.32 28.53 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.616 -0.678 . . . . 0.0 110.15 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.62 -29.1 67.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.638 -0.664 . . . . 0.0 110.061 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.16 -25.08 39.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.6 -0.687 . . . . 0.0 110.392 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -58.59 -27.85 65.02 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.484 -0.76 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -63.9 -29.4 70.58 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.538 -0.726 . . . . 0.0 110.109 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.97 45.38 1.14 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.599 -0.688 . . . . 0.0 110.216 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.8 mtt85 -141.89 -55.38 0.46 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.539 -0.725 . . . . 0.0 110.182 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -71.61 -32.64 68.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.547 -0.721 . . . . 0.0 110.271 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.6 mmt -90.65 -59.11 2.26 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.567 -0.708 . . . . 0.0 110.193 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -109.74 123.02 48.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.56 -0.712 . . . . 0.0 110.234 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.195 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 mmt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.085 0.469 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.2 -140.83 3.01 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.5 tttt 52.86 86.53 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.458 -1.025 . . . . 0.0 110.75 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.21 146.24 31.67 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.414 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -73.51 -57.09 2.78 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.623 -0.928 . . . . 0.0 110.41 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 5' ' ' ASP . 55.2 Cg_endo -73.99 -42.91 0.65 Allowed 'Trans proline' 0 N--CA 1.486 1.082 0 O-C-N 123.203 1.107 . . . . 0.0 110.102 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.55 -158.88 0.89 Allowed 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -141.89 62.27 14.15 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.658 -0.651 . . . . 0.0 110.244 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.82 121.04 6.71 Favored 'Trans proline' 0 C--N 1.317 -1.087 0 O-C-N 123.311 1.164 . . . . 0.0 110.344 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -99.9 30.41 3.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.564 -0.71 . . . . 0.0 110.172 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.92 -167.79 54.85 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -123.78 152.48 42.15 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.48 -1.012 . . . . 0.0 110.201 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.867 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -106.4 20.95 18.21 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.54 -0.725 . . . . 0.0 110.751 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 8.4 t 44.66 -156.15 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.44 -0.788 . . . . 0.0 111.733 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p -100.57 -21.54 15.26 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.619 -0.676 . . . . 0.0 110.005 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -94.07 -34.14 13.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.44 -0.787 . . . . 0.0 110.402 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.867 ' HB3' ' O ' ' A' ' 13' ' ' MET . . . -74.81 -29.71 61.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.412 -0.805 . . . . 0.0 109.804 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CD2' ' HB2' ' A' ' 13' ' ' MET . 0.1 OUTLIER -71.47 -28.83 64.21 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.586 -0.696 . . . . 0.0 109.667 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -61.17 -49.34 77.59 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.604 -0.685 . . . . 0.0 110.257 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.5 t -61.98 -28.48 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.533 -0.729 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -78.22 -29.42 48.31 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.492 -0.755 . . . . 0.0 110.206 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 m -88.27 -28.63 20.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.613 -0.679 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -83.31 -27.95 29.42 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.543 -0.723 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -71.93 -39.97 69.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.541 -0.724 . . . . 0.0 110.187 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -61.11 -55.66 29.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.588 -0.695 . . . . 0.0 110.164 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.16 -25.61 67.85 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.574 -0.704 . . . . 0.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 31' ' ' HIS . 51.7 t60 -70.91 -38.97 72.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.534 -0.729 . . . . 0.0 110.354 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -70.18 -13.85 62.37 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.661 -0.649 . . . . 0.0 111.157 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -87.98 -23.42 23.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.252 -0.905 . . . . 0.0 110.956 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 25.0 pttt -118.01 18.03 14.0 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.417 -0.802 . . . . 0.0 111.293 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 59.0 m-70 -144.53 79.99 12.12 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.354 -0.841 . . . . 0.0 110.275 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.26 -47.92 0.23 Allowed 'Trans proline' 0 C--N 1.317 -1.115 0 O-C-N 123.392 1.207 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.89 62.1 0.99 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.63 -0.669 . . . . 0.0 110.237 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -158.42 125.96 5.07 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.567 -0.708 . . . . 0.0 110.286 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -81.9 162.24 22.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.659 -0.651 . . . . 0.0 110.176 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 36' ' ' VAL . 11.8 p -166.61 65.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.605 -0.684 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -59.59 -169.73 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.331 -0.855 . . . . 0.0 109.499 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -69.04 -41.9 77.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 0.0 110.815 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.508 ' HA ' ' HG ' ' A' ' 42' ' ' SER . . . -70.08 -46.14 65.54 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.102 -0.999 . . . . 0.0 111.422 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -60.73 -17.15 46.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.311 -0.868 . . . . 0.0 110.341 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' HB2' HG22 ' A' ' 36' ' ' VAL . 14.0 t80 -111.61 -42.15 3.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.339 -0.85 . . . . 0.0 111.093 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.508 ' HG ' ' HA ' ' A' ' 39' ' ' ALA . 91.9 p -60.37 -18.52 50.8 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.478 -0.764 . . . . 0.0 110.289 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -89.21 -26.81 21.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.381 -0.824 . . . . 0.0 110.34 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -36.53 20.38 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.547 -0.721 . . . . 0.0 110.765 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -58.7 -27.51 64.93 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.36 -0.837 . . . . 0.0 110.414 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.2 p -67.5 -28.43 67.83 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.628 -0.67 . . . . 0.0 110.11 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.39 -28.11 61.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.565 -0.709 . . . . 0.0 110.188 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -94.52 -37.15 11.52 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.566 -0.709 . . . . 0.0 110.288 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -64.22 -47.37 79.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.614 -0.679 . . . . 0.0 110.252 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -64.55 -27.64 69.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.558 -0.714 . . . . 0.0 110.348 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.4 p -85.97 -27.87 24.6 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.504 -0.747 . . . . 0.0 110.312 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.9 mmm -60.79 137.7 58.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.507 -0.746 . . . . 0.0 110.284 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.9 m -88.61 163.56 15.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.59 -0.694 . . . . 0.0 110.146 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.55 -31.27 45.8 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.42 -0.8 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -74.38 -27.5 60.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.616 -0.677 . . . . 0.0 109.993 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.64 -36.09 16.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.566 -0.709 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.9 24.07 5.06 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.574 -0.703 . . . . 0.0 110.518 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.0 p -76.9 -29.49 55.76 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.493 -0.754 . . . . 0.0 109.971 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -67.92 -34.57 76.88 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.663 -0.648 . . . . 0.0 109.91 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -73.04 -42.69 62.88 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.697 -0.627 . . . . 0.0 109.893 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -69.84 -29.56 66.84 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.615 -0.678 . . . . 0.0 109.981 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.17 -29.41 38.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.594 -0.691 . . . . 0.0 110.092 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 33.7 mtp -76.5 -29.72 56.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.612 -0.68 . . . . 0.0 110.053 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -76.83 -38.65 53.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.695 -0.628 . . . . 0.0 110.042 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -67.14 -31.05 71.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.531 -0.731 . . . . 0.0 110.028 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -63.74 -45.99 87.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.54 -0.725 . . . . 0.0 110.031 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.63 -28.94 33.42 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.656 -0.652 . . . . 0.0 110.15 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -30.92 66.68 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.55 -0.719 . . . . 0.0 110.178 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.61 -29.22 20.14 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.525 -0.734 . . . . 0.0 110.094 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -76.07 -26.29 56.37 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.574 -0.704 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -59.23 -28.47 66.71 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.491 -0.756 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.2 -32.11 73.62 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.534 -0.729 . . . . 0.0 110.141 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -114.4 34.74 4.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.602 -0.686 . . . . 0.0 110.157 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -113.89 -33.27 5.82 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.601 -0.687 . . . . 0.0 110.194 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.3 mtt -100.01 -32.43 10.96 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.566 -0.709 . . . . 0.0 110.229 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -151.71 148.52 28.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.533 -0.729 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.177 -179.984 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 ttt . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.148 0.499 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.36 159.51 9.46 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -154.83 164.07 39.36 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.524 -0.986 . . . . 0.0 110.226 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.52 106.24 2.01 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.45 170.59 7.78 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.558 -0.966 . . . . 0.0 110.263 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.97 -42.86 0.89 Allowed 'Trans proline' 0 C--N 1.316 -1.172 0 O-C-N 123.469 1.247 . . . . 0.0 110.008 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.38 77.84 1.73 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.106 0.479 . . . . 0.0 110.213 -178.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -166.66 143.09 3.91 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.552 -0.718 . . . . 0.0 110.133 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.28 142.82 34.31 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 O-C-N 123.352 1.185 . . . . 0.0 110.458 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.45 30.36 6.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.527 -0.733 . . . . 0.0 110.154 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.47 155.58 11.72 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -77.43 -38.05 50.37 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.516 -0.991 . . . . 0.0 110.197 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt 53.02 97.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.44 -0.787 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.3 t -61.67 -170.81 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.563 -0.71 . . . . 0.0 110.101 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.8 p -81.42 -29.26 33.95 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.605 -0.684 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.01 -28.27 69.39 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.642 -0.661 . . . . 0.0 110.165 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.93 -28.91 55.43 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.568 -0.707 . . . . 0.0 110.169 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -79.88 -28.62 39.92 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.577 -0.702 . . . . 0.0 110.231 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -66.09 -47.66 73.51 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.563 -0.711 . . . . 0.0 110.178 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -69.98 -28.44 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.547 -0.721 . . . . 0.0 109.954 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -45.48 27.04 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.52 -0.738 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.7 m -74.37 -27.97 60.9 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.537 -0.727 . . . . 0.0 110.233 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 m -80.24 -26.01 39.28 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.549 -0.72 . . . . 0.0 110.416 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -39.76 63.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.489 -0.757 . . . . 0.0 110.061 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.82 -53.04 61.39 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.72 -0.613 . . . . 0.0 110.015 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.82 -31.54 71.78 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.597 -0.69 . . . . 0.0 109.878 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -64.5 -32.89 74.71 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.675 -0.641 . . . . 0.0 110.101 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -62.75 -61.01 2.71 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.606 -0.684 . . . . 0.0 110.553 -179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -61.45 -22.17 64.8 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.568 -0.708 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 5.0 tttt -92.63 -22.08 19.67 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.455 -0.778 . . . . 0.0 109.711 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 90.0 m-70 -132.15 84.33 53.1 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.226 -0.921 . . . . 0.0 110.145 179.635 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.18 -43.3 0.75 Allowed 'Trans proline' 0 C--N 1.317 -1.094 0 O-C-N 123.471 1.248 . . . . 0.0 110.457 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -100.37 62.06 1.07 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.546 -0.721 . . . . 0.0 110.18 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.74 139.32 5.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.522 -0.736 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.2 p -88.55 175.01 7.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.617 -0.677 . . . . 0.0 110.129 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.6 p -167.63 68.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.539 -0.725 . . . . 0.0 110.226 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -58.94 -173.25 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.51 -0.744 . . . . 0.0 109.74 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -76.72 -41.27 45.81 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.79 -44.1 67.32 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.228 -0.92 . . . . 0.0 110.931 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.56 -16.7 57.52 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 119.619 -0.833 . . . . 0.0 110.13 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -111.83 -43.22 3.64 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.325 -0.859 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.0 p -57.14 -21.98 36.68 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.465 -0.772 . . . . 0.0 110.076 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -86.89 -27.2 23.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.528 -0.733 . . . . 0.0 110.331 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -84.79 -39.26 18.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.512 -0.742 . . . . 0.0 110.798 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.2 p -58.53 -31.1 67.61 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.437 -0.79 . . . . 0.0 110.417 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.8 p -66.65 -31.76 72.65 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.668 -0.645 . . . . 0.0 110.033 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -65.85 -29.5 69.97 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.65 -0.656 . . . . 0.0 109.936 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 -100.73 -32.95 10.47 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.623 -0.673 . . . . 0.0 110.13 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -64.42 -33.15 75.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.499 -0.75 . . . . 0.0 110.063 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -78.25 -28.21 47.7 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.581 -0.699 . . . . 0.0 110.235 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.8 p -82.49 -29.8 30.29 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.544 -0.722 . . . . 0.0 110.209 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 72.6 mtp -61.72 159.46 13.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.551 -0.718 . . . . 0.0 110.157 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.8 p -117.74 -164.77 1.03 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.535 -0.728 . . . . 0.0 110.279 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.34 -20.47 63.86 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.624 -0.673 . . . . 0.0 110.631 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -69.89 -30.0 67.34 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.268 -0.895 . . . . 0.0 109.926 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -100.91 -39.74 7.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.609 -0.682 . . . . 0.0 110.011 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -67.81 -19.26 65.06 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.669 -0.645 . . . . 0.0 110.577 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 p -58.45 -32.06 68.37 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.303 -0.873 . . . . 0.0 110.477 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -72.62 -31.88 65.5 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.598 -0.689 . . . . 0.0 110.132 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -90.82 -28.75 17.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.569 -0.707 . . . . 0.0 110.249 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -74.03 -29.09 61.75 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.543 -0.723 . . . . 0.0 110.116 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.24 -29.08 57.39 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.68 -0.637 . . . . 0.0 110.163 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.5 mmm -69.31 -35.03 75.55 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.605 -0.685 . . . . 0.0 110.076 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.74 -35.99 51.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.686 . . . . 0.0 110.061 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -67.79 -28.63 67.76 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -61.01 -47.05 88.25 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.577 -0.702 . . . . 0.0 110.056 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.95 -30.73 50.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.619 -0.676 . . . . 0.0 110.077 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -63.72 -29.32 70.56 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.542 -0.724 . . . . 0.0 110.157 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.53 -28.67 24.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.601 -0.687 . . . . 0.0 110.193 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -95.71 24.32 5.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.507 -0.746 . . . . 0.0 110.454 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -110.05 -29.32 8.28 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.446 -0.784 . . . . 0.0 110.206 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.88 -30.45 31.95 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.577 -0.702 . . . . 0.0 110.122 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -84.68 -35.55 22.5 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.589 -0.694 . . . . 0.0 110.17 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.46 -30.33 70.02 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.671 -0.643 . . . . 0.0 110.273 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 mmt -79.7 -28.64 40.63 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.585 -0.697 . . . . 0.0 110.259 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -79.97 127.02 31.77 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.596 -0.69 . . . . 0.0 110.187 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.8 p30 . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.195 -179.958 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.09 0.472 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.12 -122.74 3.6 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -110.04 -43.57 3.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.591 -0.946 . . . . 0.0 110.174 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.4 -127.85 1.33 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.432 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -173.33 -60.45 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.557 -0.966 . . . . 0.0 110.291 179.792 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.7 Cg_endo -74.02 -42.97 0.63 Allowed 'Trans proline' 0 N--CA 1.487 1.118 0 O-C-N 123.11 1.058 . . . . 0.0 109.704 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.57 -25.98 7.67 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.053 0.454 . . . . 0.0 110.411 -179.022 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt 53.2 65.14 6.12 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.238 -0.914 . . . . 0.0 110.729 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.82 -179.93 4.69 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 O-C-N 123.318 1.167 . . . . 0.0 110.246 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -103.15 -179.27 3.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.581 -0.699 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.0 -170.28 6.5 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HE3' ' CG ' ' A' ' 71' ' ' TYR . 18.0 mttp -106.71 -165.05 1.04 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.64 -0.918 . . . . 0.0 110.14 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.402 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 49.6 mtt -139.59 114.97 9.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.509 -0.744 . . . . 0.0 110.204 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.466 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 10.6 t -84.63 177.46 8.05 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.564 -0.71 . . . . 0.0 110.169 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.2 p -69.29 -28.94 66.73 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.604 -0.685 . . . . 0.0 110.187 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -66.32 -29.05 69.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.469 -0.77 . . . . 0.0 110.142 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.08 -29.86 39.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.585 -0.697 . . . . 0.0 110.126 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 18.7 m-85 -79.6 -29.0 41.0 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.619 -0.676 . . . . 0.0 110.097 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.11 -52.15 63.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.58 -0.7 . . . . 0.0 110.065 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.94 -29.42 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.599 -0.688 . . . . 0.0 109.862 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -69.75 -34.22 73.51 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.622 -0.674 . . . . 0.0 110.056 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -84.64 -29.61 25.58 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.637 -0.664 . . . . 0.0 110.09 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 m -79.61 -29.52 41.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.704 -0.622 . . . . 0.0 110.133 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -35.44 73.68 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.614 -0.679 . . . . 0.0 109.986 179.824 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -67.14 -33.62 75.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.633 -0.667 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -95.14 22.51 6.62 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.496 -0.753 . . . . 0.0 110.535 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -105.01 -48.75 3.65 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.404 -0.81 . . . . 0.0 110.066 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -59.24 -27.44 65.78 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.622 -0.673 . . . . 0.0 110.413 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -60.01 -27.25 66.73 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.539 -0.725 . . . . 0.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 11.8 ptpt -132.4 19.59 4.36 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.474 -0.766 . . . . 0.0 110.969 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 69.6 m-70 -144.13 62.32 10.16 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.374 -0.829 . . . . 0.0 110.025 179.443 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.54 -40.78 1.95 Allowed 'Trans proline' 0 C--N 1.318 -1.065 0 O-C-N 123.328 1.173 . . . . 0.0 110.485 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -99.62 39.01 1.35 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.612 -0.68 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 t -114.24 140.27 48.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.592 -0.693 . . . . 0.0 110.166 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 t -98.55 88.4 4.09 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.535 -0.728 . . . . 0.0 110.243 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.74 92.34 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.561 -0.712 . . . . 0.0 110.244 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 39' ' ' ALA . 18.3 p30 -93.68 48.12 1.27 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.616 -0.677 . . . . 0.0 109.282 178.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 59.48 -77.28 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 O-C-N 122.194 -0.316 . . . . 0.0 111.219 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -45.42 -45.23 12.69 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.452 -0.78 . . . . 0.0 112.532 -178.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -58.25 -21.34 47.96 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.246 -0.909 . . . . 0.0 109.938 179.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -109.8 -33.75 6.65 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.583 -0.698 . . . . 0.0 109.985 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 p -61.1 -22.16 64.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.717 -0.614 . . . . 0.0 109.874 179.391 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -84.63 -24.75 28.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.501 -0.749 . . . . 0.0 110.375 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -84.79 -41.92 15.66 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.527 -0.733 . . . . 0.0 110.802 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.3 p -58.94 -28.03 65.88 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.395 -0.816 . . . . 0.0 110.467 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -71.55 -31.41 66.98 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.545 -0.722 . . . . 0.0 110.088 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -70.63 -34.81 72.49 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.549 -0.719 . . . . 0.0 109.95 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.64 -37.53 16.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.658 -0.651 . . . . 0.0 110.068 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -62.85 -49.31 75.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.618 -0.676 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -65.27 -26.15 67.96 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.595 -0.691 . . . . 0.0 110.549 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.7 p -90.04 -22.18 21.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.504 -0.748 . . . . 0.0 110.713 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 14.3 mmm -57.85 143.57 41.96 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.314 -0.866 . . . . 0.0 110.399 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.3 m -83.99 162.2 20.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.469 -0.769 . . . . 0.0 110.206 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.58 -29.8 64.75 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.496 -0.753 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -75.93 -29.05 58.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.532 -0.73 . . . . 0.0 109.982 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -86.51 -34.59 19.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.563 -0.71 . . . . 0.0 110.142 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 26.98 3.77 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.514 -0.741 . . . . 0.0 110.46 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.7 p -85.48 -30.97 23.05 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.546 -0.721 . . . . 0.0 110.161 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -69.1 -30.03 68.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.55 -0.719 . . . . 0.0 110.091 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -84.4 -34.61 23.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.517 -0.739 . . . . 0.0 110.124 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.02 -29.4 64.15 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.578 -0.701 . . . . 0.0 110.142 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -80.32 -28.66 38.15 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.55 -0.719 . . . . 0.0 110.241 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.5 mmm -74.08 -29.83 62.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.519 -0.738 . . . . 0.0 110.082 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -83.68 -29.06 27.9 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.525 -0.734 . . . . 0.0 110.137 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -28.61 64.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.548 -0.72 . . . . 0.0 110.205 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.1 t -73.19 -29.82 63.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.584 -0.697 . . . . 0.0 110.163 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -84.72 -31.21 24.18 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.628 -0.67 . . . . 0.0 110.155 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -29.23 70.62 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.615 -0.678 . . . . 0.0 110.224 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.95 -28.5 49.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.652 -0.655 . . . . 0.0 110.229 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -61.98 -29.01 69.96 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.519 -0.738 . . . . 0.0 110.139 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.437 ' CG ' ' HE3' ' A' ' 12' ' ' LYS . 30.9 t80 -88.49 -28.47 20.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.649 -0.657 . . . . 0.0 110.312 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -77.16 -29.28 54.43 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.568 -0.707 . . . . 0.0 110.145 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -83.21 -30.7 27.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.598 -0.689 . . . . 0.0 110.135 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -68.05 -49.04 63.8 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.571 -0.705 . . . . 0.0 110.224 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.6 mmt -94.42 -42.14 9.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.656 -0.653 . . . . 0.0 110.24 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.7 mttt 52.98 -175.02 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.443 -0.786 . . . . 0.0 110.735 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.176 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.083 0.468 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.61 143.04 8.37 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -98.6 35.53 1.81 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.576 -0.955 . . . . 0.0 110.207 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.99 -51.2 0.9 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.636 -1.385 . . . . 0.0 109.636 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -111.84 165.12 13.53 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.583 -0.951 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.45 -43.35 0.69 Allowed 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.419 1.22 . . . . 0.0 110.173 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.35 41.45 3.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.895 -0.503 . . . . 0.0 110.163 -178.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -156.33 163.93 23.22 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.59 -0.694 . . . . 0.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.57 -177.04 2.54 Favored 'Trans proline' 0 C--N 1.317 -1.087 0 O-C-N 123.419 1.221 . . . . 0.0 110.554 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -93.53 167.29 11.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.598 -0.688 . . . . 0.0 110.251 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.45 -151.98 1.09 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -112.78 -168.49 1.33 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.662 -0.904 . . . . 0.0 110.177 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -126.26 -169.31 1.99 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.61 -0.681 . . . . 0.0 110.164 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.7 t -154.82 167.3 30.72 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.602 -0.686 . . . . 0.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.4 p -72.55 -28.33 62.76 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.631 -0.668 . . . . 0.0 110.207 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -75.74 -29.13 58.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.578 -0.701 . . . . 0.0 110.166 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.62 59.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.587 -0.695 . . . . 0.0 110.163 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -78.12 -29.19 48.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.549 -0.719 . . . . 0.0 110.09 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -61.87 -47.73 83.7 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.543 -0.723 . . . . 0.0 110.059 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.9 t -72.84 -30.02 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.597 -0.689 . . . . 0.0 109.85 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -71.77 -29.0 64.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.531 -0.73 . . . . 0.0 110.197 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.8 m -94.55 -28.47 15.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.64 -0.662 . . . . 0.0 110.167 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.2 m -83.43 -35.19 25.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.501 -0.749 . . . . 0.0 110.2 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -70.99 -35.38 72.08 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.548 -0.72 . . . . 0.0 109.987 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.78 -37.75 79.92 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.476 -0.765 . . . . 0.0 109.812 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -94.62 19.77 9.43 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.636 -0.665 . . . . 0.0 110.206 179.26 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -105.1 -52.82 2.77 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.43 -0.794 . . . . 0.0 110.078 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -60.62 -32.49 71.63 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.533 -0.729 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -61.58 -25.42 67.32 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.596 -0.69 . . . . 0.0 110.426 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 2.3 ptmt -124.79 15.49 8.67 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.468 -0.77 . . . . 0.0 111.16 -179.729 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 50.5 m-70 -143.04 67.56 17.38 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.183 -0.948 . . . . 0.0 110.168 179.35 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.99 -35.98 4.83 Favored 'Trans proline' 0 C--N 1.318 -1.027 0 O-C-N 123.241 1.127 . . . . 0.0 110.406 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.99 -33.37 33.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.642 -0.662 . . . . 0.0 110.16 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -89.01 138.55 31.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.547 -0.72 . . . . 0.0 110.104 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 m -99.55 -169.55 1.77 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.605 -0.684 . . . . 0.0 110.324 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.7 p -163.65 71.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.633 -0.667 . . . . 0.0 109.927 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' ALA . 7.1 p-10 -76.4 60.63 1.59 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.494 -0.754 . . . . 0.0 110.888 -179.501 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 59.55 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.779 -0.575 . . . . 0.0 111.6 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -46.66 -49.16 19.65 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.177 -0.952 . . . . 0.0 112.245 -178.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -55.21 -23.41 22.01 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.28 -0.888 . . . . 0.0 109.6 178.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.454 ' HB2' HG23 ' A' ' 36' ' ' VAL . 2.8 t80 -101.59 -34.48 9.49 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.534 0.683 . . . . 0.0 109.83 179.247 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 p -57.79 -21.93 44.55 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.889 -0.507 . . . . 0.0 110.25 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -90.95 -24.82 20.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.641 -0.662 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -89.99 -46.91 8.19 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.436 -0.79 . . . . 0.0 110.989 -179.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -57.92 -27.63 63.53 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.379 -0.825 . . . . 0.0 110.597 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.0 p -70.19 -35.27 73.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.532 -0.73 . . . . 0.0 110.091 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.57 -33.36 75.42 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.537 -0.727 . . . . 0.0 110.101 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -86.49 -44.03 12.3 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.672 -0.642 . . . . 0.0 110.236 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -60.81 -34.62 74.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.555 -0.716 . . . . 0.0 110.13 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -78.21 -24.61 47.0 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.582 -0.699 . . . . 0.0 110.586 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.9 p -100.57 -13.61 18.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.409 -0.807 . . . . 0.0 111.165 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.79 153.59 13.52 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.261 -0.899 . . . . 0.0 110.462 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 p -92.58 176.65 6.38 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.552 -0.717 . . . . 0.0 110.276 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.51 -26.16 66.2 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.62 -0.675 . . . . 0.0 110.348 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -69.54 -29.67 67.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.45 -0.781 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -94.15 -52.0 4.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.602 -0.686 . . . . 0.0 110.081 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -56.06 -24.27 38.74 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.461 -0.774 . . . . 0.0 110.585 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.1 p -66.04 -28.04 68.55 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.501 -0.749 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -69.44 -28.58 66.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.628 -0.67 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -90.92 -28.12 18.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.579 -0.701 . . . . 0.0 110.311 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -69.75 -27.74 65.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.503 -0.748 . . . . 0.0 110.284 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -81.42 -30.43 33.54 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.531 -0.73 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.76 -31.16 66.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.502 -0.749 . . . . 0.0 110.104 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.13 -42.39 32.0 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.541 -0.724 . . . . 0.0 110.204 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -64.29 -28.82 69.98 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.584 -0.697 . . . . 0.0 110.227 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 t -65.39 -38.56 90.36 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.483 -0.76 . . . . 0.0 110.178 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -89.62 -28.5 19.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.532 -0.73 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -70.83 -28.57 64.71 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.567 -0.708 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.55 -23.96 29.49 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.516 -0.74 . . . . 0.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -58.26 -35.23 71.44 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.367 -0.833 . . . . 0.0 110.523 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -68.01 -26.58 65.96 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.548 -0.72 . . . . 0.0 110.367 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.39 -22.93 62.12 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.446 -0.784 . . . . 0.0 110.703 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -118.66 -16.66 9.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.447 -0.783 . . . . 0.0 111.279 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -58.08 -58.37 8.74 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.237 -0.915 . . . . 0.0 110.953 -179.21 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 44.1 mmm -128.45 57.38 1.59 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.447 -0.783 . . . . 0.0 110.432 -179.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -145.8 99.12 3.22 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.532 -0.73 . . . . 0.0 110.223 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.173 179.986 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.052 0.453 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.97 -106.6 0.23 Allowed Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -150.72 158.71 44.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.57 -0.959 . . . . 0.0 110.226 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.1 -162.61 36.9 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -149.32 61.23 5.15 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.586 -0.949 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -73.15 -43.04 0.79 Allowed 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.313 1.165 . . . . 0.0 110.043 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.7 -46.76 0.74 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.888 -0.507 . . . . 0.0 110.168 -178.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -91.75 161.23 34.45 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.599 -0.688 . . . . 0.0 110.271 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.66 178.14 6.66 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.4 1.21 . . . . 0.0 110.397 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.1 ttt-85 -97.7 168.25 10.45 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.608 -0.682 . . . . 0.0 110.226 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.07 -175.22 28.77 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.34 -167.12 1.51 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.657 -0.908 . . . . 0.0 110.224 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -129.94 -167.81 1.86 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.558 -0.714 . . . . 0.0 110.165 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.568 ' H ' ' HB3' ' A' ' 17' ' ' ALA . 6.5 t -149.97 178.11 9.23 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.521 -0.737 . . . . 0.0 110.215 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.9 p -62.35 -29.25 70.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.551 -0.718 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -81.59 -28.57 33.72 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.519 -0.738 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.568 ' HB3' ' H ' ' A' ' 14' ' ' SER . . . -79.82 -30.99 40.63 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.487 -0.758 . . . . 0.0 110.196 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.82 -29.82 61.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.56 -0.712 . . . . 0.0 110.121 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.45 -46.46 76.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.595 -0.691 . . . . 0.0 110.102 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -67.92 -30.65 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.628 -0.67 . . . . 0.0 109.846 179.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -65.37 -30.2 71.01 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.609 -0.682 . . . . 0.0 110.01 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -84.45 -29.17 26.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.609 -0.682 . . . . 0.0 110.14 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.5 m -84.66 -28.82 26.16 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.611 -0.681 . . . . 0.0 110.213 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -36.26 69.7 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.627 -0.671 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -69.12 -50.56 46.91 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.666 -0.646 . . . . 0.0 110.0 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -60.81 -25.94 66.95 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.585 -0.697 . . . . 0.0 110.196 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -63.21 -27.86 69.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.498 -0.751 . . . . 0.0 110.242 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -81.27 59.11 3.82 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.548 -0.72 . . . . 0.0 110.217 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -157.3 -44.18 0.07 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.611 -0.68 . . . . 0.0 109.846 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -118.81 27.74 8.71 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.702 -0.624 . . . . 0.0 110.392 179.651 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 87.0 m-70 -147.13 68.52 11.39 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.608 -0.682 . . . . 0.0 110.074 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.78 -48.74 0.28 Allowed 'Trans proline' 0 C--N 1.317 -1.126 0 O-C-N 123.297 1.156 . . . . 0.0 110.413 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -91.86 52.98 2.1 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.631 -0.668 . . . . 0.0 110.203 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.2 m -148.85 120.05 7.78 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.552 -0.718 . . . . 0.0 110.223 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 t -95.38 95.63 8.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.598 -0.689 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.428 ' CG2' ' CD1' ' A' ' 41' ' ' PHE . 12.7 p -85.82 146.72 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.578 -0.701 . . . . 0.0 110.345 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' HB3' ' HG2' ' A' ' 40' ' ' GLU . 6.7 t30 -123.18 -153.33 0.55 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.8 -52.5 3.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.36 -0.838 . . . . 0.0 110.031 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 42' ' ' SER . . . -71.74 -57.94 3.91 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.741 -0.6 . . . . 0.0 111.27 -179.138 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HG2' ' HB3' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -54.49 -23.39 16.1 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.207 -0.933 . . . . 0.0 109.518 179.134 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CD1' ' CG2' ' A' ' 36' ' ' VAL . 56.8 t80 -96.17 -19.91 19.0 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 121.64 -0.663 . . . . 0.0 110.386 178.496 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -65.26 -32.5 74.19 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.307 -0.87 . . . . 0.0 109.432 179.472 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -68.01 -20.31 65.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.853 -0.53 . . . . 0.0 110.716 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -84.39 -53.79 5.21 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.335 -0.853 . . . . 0.0 110.587 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.2 p -60.07 -29.04 68.29 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.545 -0.722 . . . . 0.0 110.438 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.9 p -63.11 -32.56 73.97 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.536 -0.727 . . . . 0.0 110.159 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.69 -30.37 70.6 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.546 -0.721 . . . . 0.0 110.086 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -92.68 -29.03 16.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.645 -0.66 . . . . 0.0 110.188 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -72.5 -52.34 16.16 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.52 -0.737 . . . . 0.0 110.089 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -63.03 -27.38 69.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.695 -0.628 . . . . 0.0 110.403 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.4 p -82.2 -29.45 31.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.528 -0.732 . . . . 0.0 110.268 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.5 mtp -61.6 165.32 5.09 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.541 -0.724 . . . . 0.0 110.171 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.1 m -108.16 -174.41 2.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.569 -0.707 . . . . 0.0 110.32 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.8 -21.91 62.42 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.63 -0.668 . . . . 0.0 110.586 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -68.62 -30.39 69.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.385 -0.822 . . . . 0.0 109.883 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -98.84 -41.14 7.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.655 -0.653 . . . . 0.0 109.949 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -65.01 -21.58 66.87 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.63 -0.669 . . . . 0.0 110.512 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 p -67.42 -31.23 71.29 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.424 -0.797 . . . . 0.0 110.336 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -66.15 -28.94 69.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.567 -0.708 . . . . 0.0 110.173 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -91.44 -28.47 17.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.588 -0.695 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -79.26 -28.51 42.37 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.591 -0.693 . . . . 0.0 110.248 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.16 -28.68 42.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.595 -0.69 . . . . 0.0 110.254 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.9 mmt -82.81 -28.84 29.96 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.551 -0.718 . . . . 0.0 110.126 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.88 -45.82 40.35 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.562 -0.711 . . . . 0.0 110.168 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -69.21 -28.32 66.26 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.629 -0.669 . . . . 0.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -28.82 69.39 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.551 -0.718 . . . . 0.0 110.172 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -102.83 -29.9 11.18 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.565 -0.709 . . . . 0.0 110.172 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -68.1 -30.56 69.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.636 -0.665 . . . . 0.0 110.227 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.66 -28.76 63.96 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.565 -0.709 . . . . 0.0 110.178 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -65.92 -28.95 69.3 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.621 -0.675 . . . . 0.0 110.152 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -65.13 -28.95 69.78 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.474 -0.766 . . . . 0.0 110.141 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.69 -30.67 67.31 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.645 -0.66 . . . . 0.0 110.17 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -102.58 33.54 3.13 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.632 -0.667 . . . . 0.0 110.177 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -105.17 -51.66 2.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.565 -0.709 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 43.2 mtt -99.95 34.83 2.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.591 -0.693 . . . . 0.0 110.233 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -135.21 33.59 3.08 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.519 -0.738 . . . . 0.0 110.219 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.8 t30 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.18 -179.959 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ttt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.153 0.502 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.68 61.21 0.33 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -88.83 -30.33 19.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.54 -0.977 . . . . 0.0 110.231 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.13 40.95 2.29 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -136.57 145.96 53.59 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.576 -0.955 . . . . 0.0 110.238 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.82 -167.95 0.46 Allowed 'Trans proline' 0 N--CA 1.489 1.228 0 O-C-N 123.375 1.197 . . . . 0.0 109.451 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.56 119.07 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.98 0.895 . . . . 0.0 112.094 176.388 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 mttt 58.22 164.57 0.08 OUTLIER Pre-proline 0 N--CA 1.501 2.109 0 O-C-N 121.242 -0.911 . . . . 0.0 110.697 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.88 -165.34 0.25 Allowed 'Trans proline' 0 C--N 1.319 -1.01 0 O-C-N 123.462 1.243 . . . . 0.0 110.531 -179.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.72 33.82 1.79 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.67 -0.643 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.69 -178.91 23.39 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -92.04 -166.53 1.57 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.629 -0.924 . . . . 0.0 110.156 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.9 mtt -132.27 -170.94 2.52 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.661 -0.65 . . . . 0.0 110.235 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.526 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.8 t -153.56 178.7 9.55 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.555 -0.715 . . . . 0.0 110.214 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.6 p -68.65 -28.7 67.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.58 -0.7 . . . . 0.0 110.19 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -77.49 -28.71 52.28 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.599 -0.688 . . . . 0.0 110.132 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.07 -31.9 50.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.532 -0.73 . . . . 0.0 110.188 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.69 -28.96 33.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.607 -0.683 . . . . 0.0 110.147 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.69 -41.9 95.7 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.658 -0.652 . . . . 0.0 110.169 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.15 -29.8 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.633 -0.667 . . . . 0.0 109.919 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.36 -46.11 28.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.57 -0.706 . . . . 0.0 110.179 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.8 m -66.3 -27.75 68.16 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.535 -0.728 . . . . 0.0 110.253 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -86.05 -28.33 24.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.529 -0.732 . . . . 0.0 110.382 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -39.11 63.72 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.604 -0.685 . . . . 0.0 110.115 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.16 -41.08 97.96 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.536 -0.727 . . . . 0.0 109.926 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.32 -17.56 56.4 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.628 -0.67 . . . . 0.0 110.709 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -64.62 -47.8 77.26 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.343 -0.848 . . . . 0.0 110.292 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -60.24 -27.78 67.5 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -64.29 -27.25 68.91 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.509 -0.745 . . . . 0.0 110.404 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -125.26 17.46 8.34 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.531 -0.731 . . . . 0.0 110.964 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 80.1 m-70 -145.79 66.47 11.85 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.314 -0.866 . . . . 0.0 110.005 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.83 -31.13 10.6 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 O-C-N 123.261 1.137 . . . . 0.0 110.498 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -104.77 53.08 0.73 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.53 -0.732 . . . . 0.0 110.337 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 t -168.39 134.94 1.95 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.508 -0.745 . . . . 0.0 110.389 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.8 t -89.43 179.97 5.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.605 -0.684 . . . . 0.0 109.932 179.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.633 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.9 p -168.13 89.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.466 -0.771 . . . . 0.0 110.712 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -70.95 -168.2 0.26 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.348 -0.845 . . . . 0.0 109.459 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -80.79 -48.3 12.67 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.361 -0.837 . . . . 0.0 110.202 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.49 -40.42 73.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.267 -0.895 . . . . 0.0 110.618 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -63.26 -16.35 59.99 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.066 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -114.41 -46.13 2.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.313 -0.867 . . . . 0.0 110.752 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.0 p -55.05 -24.13 23.48 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.518 -0.739 . . . . 0.0 110.138 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -30.48 64.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.584 -0.697 . . . . 0.0 109.563 179.205 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.22 -39.08 16.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.636 -0.665 . . . . 0.0 110.165 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.9 m -61.59 -29.1 69.82 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.489 -0.757 . . . . 0.0 110.015 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.3 p -66.18 -31.84 72.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.535 -0.728 . . . . 0.0 110.022 179.663 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -67.29 -29.3 68.86 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.637 -0.664 . . . . 0.0 110.0 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' HG22 ' A' ' 51' ' ' THR . 36.8 ttt180 -91.07 -42.61 10.4 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.567 -0.708 . . . . 0.0 109.997 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.428 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 75.8 t-105 -64.51 -28.49 69.69 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.562 -0.711 . . . . 0.0 110.113 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -75.09 -24.23 58.1 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.552 -0.718 . . . . 0.0 110.544 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 48' ' ' ARG . 8.7 t -102.29 -21.43 14.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.495 -0.753 . . . . 0.0 110.81 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 58.2 mtp -56.66 146.63 24.92 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.8 p -93.69 -177.11 4.27 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.608 -0.683 . . . . 0.0 110.417 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.48 -22.85 62.62 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.663 -0.648 . . . . 0.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -67.31 -30.57 70.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.355 -0.841 . . . . 0.0 109.773 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -98.34 -43.07 7.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.744 -0.598 . . . . 0.0 109.905 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 30.8 mtpt -65.88 -21.8 66.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.599 -0.688 . . . . 0.0 110.343 179.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 p -63.1 -31.62 72.81 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.392 -0.817 . . . . 0.0 110.306 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -64.26 -29.62 70.71 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.572 -0.705 . . . . 0.0 110.189 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -91.14 -28.67 17.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.524 -0.735 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.79 -28.68 62.73 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.526 -0.734 . . . . 0.0 110.236 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.03 -28.72 57.82 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.582 -0.698 . . . . 0.0 110.149 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.8 mtt -80.74 -28.72 36.42 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.509 -0.745 . . . . 0.0 110.156 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.75 -32.13 46.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.557 -0.715 . . . . 0.0 110.142 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -75.19 -29.07 60.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 0.0 110.157 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.6 t -70.74 -30.12 66.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.616 -0.677 . . . . 0.0 110.019 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -84.16 -29.43 26.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.599 -0.688 . . . . 0.0 110.103 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -70.64 -32.46 69.78 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.604 -0.685 . . . . 0.0 110.096 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.68 -31.43 24.13 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.562 -0.711 . . . . 0.0 110.135 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -65.86 -23.13 66.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.6 -0.688 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -57.4 -27.54 62.45 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.473 -0.767 . . . . 0.0 110.53 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.19 -31.49 70.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.558 -0.714 . . . . 0.0 110.112 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -110.41 31.21 6.11 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.677 -0.639 . . . . 0.0 110.149 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.26 -33.22 8.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.613 -0.679 . . . . 0.0 110.227 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 71.4 mtp -91.37 -31.42 16.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.603 -0.685 . . . . 0.0 110.219 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -89.09 153.62 20.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.489 -0.757 . . . . 0.0 110.183 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 t30 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.177 179.985 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtm . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.075 0.464 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.27 102.93 0.24 Allowed Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -142.12 -55.04 0.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.654 -0.909 . . . . 0.0 110.116 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.98 154.99 51.5 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.434 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.2 -60.17 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.581 -0.952 . . . . 0.0 110.331 179.829 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.2 Cg_endo -73.22 -42.85 0.83 Allowed 'Trans proline' 0 N--CA 1.487 1.114 0 O-C-N 123.137 1.072 . . . . 0.0 110.082 -179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.93 -43.98 1.65 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.817 -0.552 . . . . 0.0 110.349 -178.865 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -84.35 151.68 59.82 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.517 -0.739 . . . . 0.0 110.34 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -73.13 164.7 34.71 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 O-C-N 123.486 1.256 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -109.0 29.95 7.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.602 -0.686 . . . . 0.0 110.355 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.72 -167.34 48.17 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -107.03 -178.36 3.63 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.52 -0.988 . . . . 0.0 110.24 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.439 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -147.28 113.43 5.85 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.588 -0.695 . . . . 0.0 110.34 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.507 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 7.1 t -72.0 178.56 3.69 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.479 -0.763 . . . . 0.0 110.17 -179.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.6 p -63.53 -31.4 72.55 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.666 -0.646 . . . . 0.0 110.179 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -64.6 -28.99 70.0 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.574 -0.704 . . . . 0.0 110.201 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.52 -29.69 59.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.601 -0.687 . . . . 0.0 110.065 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 13' ' ' MET . 11.1 m-85 -79.58 -28.79 41.1 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.579 -0.701 . . . . 0.0 110.218 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -64.09 -47.26 80.73 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.558 -0.714 . . . . 0.0 110.172 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.33 -28.87 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.581 -0.699 . . . . 0.0 110.097 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -77.01 -34.9 57.37 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.513 -0.742 . . . . 0.0 110.235 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.0 m -83.8 -29.15 27.6 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.559 -0.713 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.3 m -83.22 -30.25 27.87 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.586 -0.696 . . . . 0.0 110.244 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -62.74 -43.79 97.89 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.546 -0.721 . . . . 0.0 110.06 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -65.57 -32.0 73.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.551 -0.718 . . . . 0.0 109.998 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -95.99 25.06 5.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.613 -0.679 . . . . 0.0 110.31 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -105.13 -45.68 4.45 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.455 -0.778 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.31 -27.01 66.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.591 -0.693 . . . . 0.0 110.404 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -60.92 -26.39 67.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.589 -0.695 . . . . 0.0 110.515 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 1.3 ptmt -132.8 20.95 4.19 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.472 -0.767 . . . . 0.0 110.983 -179.848 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 80.9 m-70 -145.05 63.69 10.32 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.335 -0.853 . . . . 0.0 110.138 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.04 -37.43 3.51 Favored 'Trans proline' 0 C--N 1.318 -1.063 0 O-C-N 123.353 1.186 . . . . 0.0 110.311 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -83.73 -31.08 26.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.642 -0.662 . . . . 0.0 110.16 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.8 t -90.54 132.37 35.74 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.65 -0.656 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p -95.76 -167.48 1.61 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.585 -0.697 . . . . 0.0 110.167 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 36' ' ' VAL . 10.1 p -166.46 103.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.627 -0.67 . . . . 0.0 110.082 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -105.79 51.56 0.75 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.303 -0.873 . . . . 0.0 110.573 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 65.44 -62.78 0.22 Allowed 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.866 -0.521 . . . . 0.0 111.287 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.13 90.83 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.043 -1.035 . . . . 0.0 111.049 -178.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.67 -18.38 41.67 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.412 -0.805 . . . . 0.0 110.017 179.158 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.612 ' HB2' HG23 ' A' ' 36' ' ' VAL . 2.1 t80 -107.2 -46.0 3.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.464 -0.773 . . . . 0.0 110.745 -179.775 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.2 p -55.22 -25.4 32.91 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.703 -0.623 . . . . 0.0 110.386 179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -83.6 -28.42 28.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.568 -0.708 . . . . 0.0 109.961 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.94 -45.22 8.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.556 -0.715 . . . . 0.0 110.4 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.6 m -59.61 -25.69 64.85 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.637 -0.665 . . . . 0.0 110.317 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.8 p -69.4 -37.59 77.55 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.495 -0.753 . . . . 0.0 109.724 179.421 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -64.6 -42.03 95.84 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.638 -0.663 . . . . 0.0 109.685 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -78.42 -39.29 39.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.679 -0.638 . . . . 0.0 109.769 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.429 ' CZ3' ' HG2' ' A' ' 57' ' ' LYS . 72.5 t-105 -62.09 -51.3 68.5 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.575 -0.703 . . . . 0.0 109.63 179.607 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -61.95 -25.43 67.59 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.588 -0.695 . . . . 0.0 110.418 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -97.66 -12.52 22.31 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.471 -0.768 . . . . 0.0 110.991 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 mmm -56.92 170.86 0.39 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.229 -0.92 . . . . 0.0 110.558 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -102.98 166.08 10.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.575 -0.703 . . . . 0.0 110.27 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.98 -18.5 65.33 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.671 -0.643 . . . . 0.0 110.783 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -73.25 -29.9 63.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.33 -0.856 . . . . 0.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -98.97 -37.14 9.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.667 -0.646 . . . . 0.0 110.102 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' CZ3' ' A' ' 49' ' ' TRP . 27.1 mtmt -71.58 -21.91 61.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.628 -0.67 . . . . 0.0 110.457 179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.9 p -69.84 -29.3 66.52 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.429 -0.794 . . . . 0.0 110.388 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -66.45 -28.65 68.76 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.568 -0.708 . . . . 0.0 110.245 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -93.76 -28.51 15.88 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.541 -0.725 . . . . 0.0 110.341 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -71.7 -27.96 63.38 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.498 -0.751 . . . . 0.0 110.337 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.5 -27.57 46.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.54 -0.725 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 50.3 mtt -82.19 -27.68 32.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.572 -0.705 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -79.93 -28.16 39.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.563 -0.71 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -72.78 -28.05 62.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.412 -0.805 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -61.62 -54.54 41.59 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.516 -0.74 . . . . 0.0 110.247 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -66.85 -31.89 72.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.62 -0.675 . . . . 0.0 110.356 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -64.91 -28.11 69.31 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.563 -0.711 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.95 -28.41 14.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.62 -0.675 . . . . 0.0 110.351 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -79.32 -27.45 42.1 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.608 -0.682 . . . . 0.0 110.345 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.75 -28.63 68.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.53 -0.731 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.69 -37.11 84.06 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.615 -0.678 . . . . 0.0 110.153 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -110.36 39.12 2.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.517 -0.74 . . . . 0.0 110.198 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -98.67 -52.77 3.5 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.567 -0.708 . . . . 0.0 110.25 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 9.7 ptm -144.0 40.12 1.37 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.549 -0.72 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -110.95 128.98 56.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.511 -0.743 . . . . 0.0 110.263 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.1 t30 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.167 -179.905 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 ttp . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.073 0.463 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.79 112.75 0.21 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 30.0 0.76 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.556 -0.967 . . . . 0.0 110.288 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.05 172.64 20.87 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -150.18 54.34 1.49 Allowed Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.537 -0.978 . . . . 0.0 110.231 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -72.93 -42.89 0.9 Allowed 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.35 1.184 . . . . 0.0 110.072 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.55 -49.78 0.45 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.852 -0.53 . . . . 0.0 110.108 -179.002 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 162.27 50.32 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 121.638 -0.664 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.46 165.09 33.68 Favored 'Trans proline' 0 C--N 1.317 -1.115 0 O-C-N 123.472 1.248 . . . . 0.0 110.443 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 -79.78 154.38 28.53 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.565 -0.709 . . . . 0.0 110.191 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.11 168.39 29.54 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -108.25 -168.68 1.39 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.62 -0.929 . . . . 0.0 110.152 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 mmt -103.83 -166.34 1.25 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.547 -0.721 . . . . 0.0 110.086 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.529 ' H ' ' HB3' ' A' ' 17' ' ' ALA . 3.4 t -157.45 179.24 9.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.583 -0.698 . . . . 0.0 110.124 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.6 p -58.76 -27.59 65.11 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.586 -0.696 . . . . 0.0 110.482 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -79.25 -28.94 42.41 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.641 -0.662 . . . . 0.0 110.216 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.529 ' HB3' ' H ' ' A' ' 14' ' ' SER . . . -80.08 -36.8 34.99 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.587 -0.695 . . . . 0.0 110.276 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -70.27 -29.25 65.98 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.502 -0.749 . . . . 0.0 110.071 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -62.87 -45.5 92.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.576 -0.702 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -76.99 -34.04 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.527 -0.733 . . . . 0.0 109.918 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -67.99 -37.44 81.48 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.59 -0.694 . . . . 0.0 110.117 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.1 m -81.34 -28.72 34.39 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.604 -0.685 . . . . 0.0 110.145 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.7 m -79.57 -25.43 41.6 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.582 -0.699 . . . . 0.0 110.375 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -75.6 -46.94 28.85 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.549 -0.72 . . . . 0.0 109.977 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -59.47 -26.91 65.64 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.545 -0.722 . . . . 0.0 110.43 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -87.96 -24.75 23.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.588 -0.695 . . . . 0.0 110.342 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -66.73 -46.75 74.46 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.419 -0.801 . . . . 0.0 110.191 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -61.31 -30.08 70.27 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.59 -0.694 . . . . 0.0 110.496 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -60.8 -27.09 67.77 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.574 -0.704 . . . . 0.0 110.41 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -125.98 17.87 7.87 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.478 -0.764 . . . . 0.0 111.02 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 79.7 m-70 -145.22 74.51 14.17 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.311 -0.868 . . . . 0.0 110.109 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.9 -38.67 2.8 Favored 'Trans proline' 0 C--N 1.316 -1.154 0 O-C-N 123.321 1.169 . . . . 0.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.66 48.75 0.9 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.564 -0.71 . . . . 0.0 110.224 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.67 106.84 0.98 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.512 -0.743 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.707 ' O ' HG13 ' A' ' 36' ' ' VAL . 58.2 m -74.22 -168.52 0.65 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.579 -0.701 . . . . 0.0 110.191 179.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -168.11 91.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.634 -0.666 . . . . 0.0 110.798 -179.433 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -63.64 144.69 56.81 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.18 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -53.73 -36.27 62.11 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.108 -0.995 . . . . 0.0 110.658 -178.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.26 -44.05 48.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.237 -0.914 . . . . 0.0 109.944 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.4 -16.51 60.72 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.709 178.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -109.64 -48.88 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.345 -0.847 . . . . 0.0 111.303 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.3 p -53.65 -25.91 20.01 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.205 -0.934 . . . . 0.0 110.374 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -33.34 64.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.61 -0.681 . . . . 0.0 109.459 179.19 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -82.32 -34.62 28.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.724 -0.61 . . . . 0.0 109.889 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.2 m -61.94 -29.65 70.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.688 -0.632 . . . . 0.0 109.938 179.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.5 p -61.53 -35.26 77.25 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.603 -0.686 . . . . 0.0 109.945 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -63.76 -31.37 72.52 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.629 -0.669 . . . . 0.0 109.732 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' HA ' ' HG1' ' A' ' 51' ' ' THR . 1.1 ttt-85 -92.08 -33.96 14.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.668 -0.645 . . . . 0.0 109.983 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.431 ' CH2' ' HG2' ' A' ' 57' ' ' LYS . 72.6 t-105 -68.61 -36.93 79.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.678 -0.639 . . . . 0.0 109.976 179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -27.77 54.39 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.698 -0.626 . . . . 0.0 110.276 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.413 ' HG1' ' HA ' ' A' ' 48' ' ' ARG . 43.0 p -87.09 -26.32 23.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.576 -0.703 . . . . 0.0 110.449 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.3 mtp -59.46 158.78 9.05 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.505 -0.747 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.8 m -101.86 -172.62 2.18 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.495 -0.753 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.77 -11.72 60.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.524 -0.735 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -73.21 -30.33 63.44 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.179 -0.95 . . . . 0.0 109.882 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -101.64 -39.9 7.25 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.678 -0.639 . . . . 0.0 109.963 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 11.5 mtpp -66.25 -25.73 67.02 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.671 -0.643 . . . . 0.0 110.266 179.827 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.6 p -62.81 -40.59 97.84 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.427 -0.796 . . . . 0.0 110.347 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -62.3 -37.77 86.82 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.576 -0.702 . . . . 0.0 110.266 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -74.61 -31.33 61.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.513 -0.742 . . . . 0.0 110.132 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -82.93 -28.53 29.82 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.567 -0.708 . . . . 0.0 110.184 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.87 -28.3 64.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.504 -0.747 . . . . 0.0 110.207 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.8 mtp -83.92 -28.58 27.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.563 -0.711 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.92 -38.77 64.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.512 -0.743 . . . . 0.0 110.215 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -66.66 -28.67 68.65 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.512 -0.742 . . . . 0.0 110.172 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.6 t -63.9 -38.33 90.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.632 -0.667 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -92.02 -28.42 17.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.594 -0.691 . . . . 0.0 110.303 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -68.32 -28.32 67.05 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.55 -0.719 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.27 64.79 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.538 -0.726 . . . . 0.0 110.202 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -62.03 -28.38 69.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.47 -0.769 . . . . 0.0 110.249 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -64.36 -29.77 70.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.577 -0.702 . . . . 0.0 110.252 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.45 -36.54 83.05 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.619 -0.676 . . . . 0.0 110.224 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -103.93 39.66 1.59 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.542 -0.724 . . . . 0.0 110.201 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -113.77 -50.68 2.82 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.588 -0.695 . . . . 0.0 110.248 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 37.4 mtt -87.32 -55.46 3.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.572 -0.705 . . . . 0.0 110.179 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt 52.47 -170.42 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.388 -0.82 . . . . 0.0 110.8 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.0 t30 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.238 179.948 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 mmm . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.098 0.475 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.25 -141.86 6.97 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -158.61 94.66 1.27 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.61 -0.935 . . . . 0.0 110.156 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.51 42.51 2.04 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -157.06 168.66 12.04 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.938 . . . . 0.0 110.267 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -74.39 -43.58 0.49 Allowed 'Trans proline' 0 C--N 1.317 -1.102 0 O-C-N 123.38 1.2 . . . . 0.0 110.365 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.1 42.25 1.11 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.799 -0.563 . . . . 0.0 110.668 -178.567 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -139.13 157.96 70.25 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.467 -0.77 . . . . 0.0 110.191 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.6 162.75 40.47 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 O-C-N 123.432 1.227 . . . . 0.0 110.471 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.3 115.58 30.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.577 -0.702 . . . . 0.0 110.247 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.09 46.75 0.03 OUTLIER Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -122.95 -177.93 3.81 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.538 -0.977 . . . . 0.0 110.215 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.99 -168.76 1.97 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.613 -0.679 . . . . 0.0 110.12 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.452 ' HA ' ' HB1' ' A' ' 64' ' ' ALA . 12.9 t -156.54 -179.01 7.77 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.582 -0.699 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -76.71 -28.72 55.95 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.583 -0.698 . . . . 0.0 110.115 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -77.07 -28.78 54.76 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.633 -0.667 . . . . 0.0 110.138 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.38 -30.52 42.56 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.615 -0.678 . . . . 0.0 110.115 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -73.84 -29.54 62.18 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.601 -0.687 . . . . 0.0 109.972 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.457 ' CD1' ' CE3' ' A' ' 49' ' ' TRP . 27.3 t80 -61.93 -55.2 32.04 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.662 -0.648 . . . . 0.0 110.082 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.73 -29.69 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.545 -0.722 . . . . 0.0 109.677 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.63 -50.86 61.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.59 -0.693 . . . . 0.0 109.746 179.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 56.6 m -69.82 -33.25 72.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.576 -0.703 . . . . 0.0 109.764 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 70.5 m -75.55 -29.55 59.42 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.665 -0.647 . . . . 0.0 109.749 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -66.88 -46.55 74.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.603 -0.686 . . . . 0.0 109.805 179.542 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -60.97 -32.02 71.59 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.557 -0.714 . . . . 0.0 109.472 179.297 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -72.02 -13.54 61.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.736 -0.602 . . . . 0.0 110.255 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.447 ' HA ' ' ND1' ' A' ' 31' ' ' HIS . 72.6 t60 -95.01 26.19 3.78 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.369 -0.832 . . . . 0.0 109.974 179.662 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -112.33 29.15 8.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.149 -0.97 . . . . 0.0 110.293 179.381 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -122.03 -82.21 0.65 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.438 -0.789 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -93.26 49.56 1.42 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.146 -0.971 . . . . 0.0 109.759 179.599 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.48 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 32.5 m80 -142.11 53.32 3.03 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.62 -0.675 . . . . 0.0 109.861 -179.419 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 46.6 Cg_endo -73.23 -49.03 0.24 Allowed 'Trans proline' 0 C--N 1.318 -1.035 0 O-C-N 123.268 1.141 . . . . 0.0 110.51 -179.674 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -97.16 36.24 1.47 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.616 -0.677 . . . . 0.0 110.202 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.9 m -141.86 86.09 1.97 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.585 -0.697 . . . . 0.0 110.218 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.417 ' C ' HG13 ' A' ' 36' ' ' VAL . 20.7 m -71.93 171.85 11.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.59 -0.694 . . . . 0.0 110.131 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 36' ' ' VAL . 34.8 m -146.21 105.79 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.561 -179.357 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -92.08 50.12 1.62 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.442 -0.786 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 67.33 -57.83 0.43 Allowed 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.687 -0.633 . . . . 0.0 110.712 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.57 85.35 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.834 -1.166 . . . . 0.0 110.775 -179.773 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -59.97 -18.01 42.45 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.477 -0.764 . . . . 0.0 110.403 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 23' ' ' SER . 14.0 t80 -112.09 -47.44 3.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.376 -0.828 . . . . 0.0 110.772 -179.682 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -54.47 -25.59 26.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.61 -0.681 . . . . 0.0 110.312 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -69.06 -29.8 68.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.633 -0.667 . . . . 0.0 109.617 179.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.65 -44.67 9.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.718 -0.614 . . . . 0.0 110.141 179.916 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.6 m -61.55 -29.16 69.83 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.61 -0.681 . . . . 0.0 110.033 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.5 p -66.44 -33.94 76.82 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.498 -0.751 . . . . 0.0 109.919 179.582 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -66.71 -34.4 77.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.685 -0.634 . . . . 0.0 109.849 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -89.06 -36.96 15.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.581 -0.7 . . . . 0.0 110.009 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.457 ' CE3' ' CD1' ' A' ' 19' ' ' PHE . 63.0 t-105 -63.04 -47.3 83.6 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.594 -0.691 . . . . 0.0 109.957 179.76 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -65.7 -28.33 68.99 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.572 -0.705 . . . . 0.0 110.214 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -95.9 -8.79 33.03 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.489 -0.757 . . . . 0.0 111.077 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.499 ' HE3' ' HB3' ' A' ' 56' ' ' GLU . 2.5 mmm -58.33 163.74 2.86 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.101 -0.999 . . . . 0.0 110.411 -179.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 t -93.81 168.09 11.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.624 -0.673 . . . . 0.0 110.32 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -23.68 65.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.577 -0.702 . . . . 0.0 110.444 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -69.21 -30.94 69.22 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.452 -0.78 . . . . 0.0 109.91 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HB3' ' HE3' ' A' ' 52' ' ' MET . 25.0 mt-10 -95.05 -40.41 9.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.773 -0.579 . . . . 0.0 109.976 179.828 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -67.25 -21.23 65.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.69 -0.632 . . . . 0.0 110.438 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 p -78.1 -30.15 49.36 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.357 -0.84 . . . . 0.0 110.369 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -65.08 -28.96 69.82 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.599 -0.688 . . . . 0.0 110.258 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -86.22 -28.88 23.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.653 -0.654 . . . . 0.0 110.188 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -73.39 -29.34 62.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.663 -0.648 . . . . 0.0 110.187 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.5 -28.47 61.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.662 -0.648 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.2 mmt -83.36 -29.64 28.06 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.524 -0.735 . . . . 0.0 110.224 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 14' ' ' SER . . . -78.07 -37.35 46.77 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.525 -0.734 . . . . 0.0 110.214 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -66.1 -30.11 70.55 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.574 -0.704 . . . . 0.0 110.107 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.1 t -62.87 -35.01 78.58 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.56 -0.713 . . . . 0.0 110.073 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -86.08 -38.74 17.49 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.579 -0.701 . . . . 0.0 110.171 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -30.27 70.97 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.572 -0.705 . . . . 0.0 110.149 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -85.35 -27.83 25.61 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.589 -0.695 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -95.76 23.49 6.19 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.525 -0.734 . . . . 0.0 110.564 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -135.56 26.1 3.42 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.37 -0.831 . . . . 0.0 110.444 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -94.11 -39.26 10.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.566 -0.709 . . . . 0.0 110.102 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -102.84 30.57 4.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.535 -0.728 . . . . 0.0 110.216 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.25 -57.35 3.54 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.616 -0.678 . . . . 0.0 110.169 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.2 mmt -103.42 35.03 2.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.635 -0.666 . . . . 0.0 110.223 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -112.44 40.55 2.2 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.574 -0.703 . . . . 0.0 110.265 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.221 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mtt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.12 0.486 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.56 -113.19 4.18 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -150.31 -52.37 0.14 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.512 -0.993 . . . . 0.0 110.187 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.44 -103.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.438 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -170.29 -61.45 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 121.615 -0.932 . . . . 0.0 110.293 179.623 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 56.1 Cg_endo -75.01 -42.67 0.47 Allowed 'Trans proline' 0 N--CA 1.486 1.061 0 O-C-N 123.009 1.005 . . . . 0.0 109.642 179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.72 -79.66 0.08 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.82 -178.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? 61.51 141.91 0.05 OUTLIER Pre-proline 0 N--CA 1.504 2.258 0 O-C-N 121.329 -0.857 . . . . 0.0 110.895 179.589 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.28 156.6 54.84 Favored 'Trans proline' 0 N--CA 1.484 0.961 0 O-C-N 122.989 0.994 . . . . 0.0 110.098 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.2 37.68 1.31 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.493 -0.754 . . . . 0.0 110.271 -179.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.46 46.3 10.12 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.2 mttp 53.1 -163.83 0.09 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.491 -1.005 . . . . 0.0 110.706 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.433 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 38.1 mtp -134.69 122.61 22.45 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.551 -0.718 . . . . 0.0 110.127 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -96.58 179.27 5.06 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.566 -0.709 . . . . 0.0 110.207 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.5 p -69.9 -28.72 65.85 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.637 -0.664 . . . . 0.0 110.213 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -72.21 -28.91 63.48 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.536 -0.727 . . . . 0.0 110.176 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.05 -30.08 58.26 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.521 -0.737 . . . . 0.0 110.143 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 13' ' ' MET . 15.4 m-85 -79.25 -28.66 42.43 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.561 -0.712 . . . . 0.0 110.178 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.06 -50.8 66.98 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.618 -0.676 . . . . 0.0 110.13 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.0 t -72.73 -35.54 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.563 -0.71 . . . . 0.0 109.966 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -66.51 -45.86 78.13 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.454 -0.779 . . . . 0.0 110.129 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.7 m -70.85 -28.96 64.97 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.566 -0.709 . . . . 0.0 110.113 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.411 ' HA ' ' HG2' ' A' ' 26' ' ' GLU . 49.5 m -87.51 4.22 44.35 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.621 -0.674 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.29 -45.58 8.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.184 -0.948 . . . . 0.0 109.939 179.837 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.66 -37.9 83.09 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.615 -0.678 . . . . 0.0 109.796 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 23' ' ' SER . 6.2 pt-20 -67.73 -23.84 65.3 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.682 -0.636 . . . . 0.0 110.239 179.534 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.91 -27.75 64.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.509 -0.744 . . . . 0.0 110.122 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -82.19 4.72 22.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.473 -0.767 . . . . 0.0 111.268 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -100.44 -17.0 17.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.093 -1.005 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CD2' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -135.58 22.97 3.4 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.277 -0.889 . . . . 0.0 111.049 -179.667 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 30' ' ' LYS . 82.7 m-70 -145.73 84.98 7.97 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.324 -0.86 . . . . 0.0 110.354 179.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.77 -29.24 10.72 Favored 'Trans proline' 0 C--N 1.316 -1.181 0 O-C-N 123.503 1.265 . . . . 0.0 110.395 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -124.1 54.06 1.37 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.549 -0.72 . . . . 0.0 110.443 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.7 97.47 2.37 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.526 -0.734 . . . . 0.0 110.191 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.446 ' C ' HG13 ' A' ' 36' ' ' VAL . 22.7 t -82.72 170.95 14.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.611 -0.68 . . . . 0.0 110.66 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 36' ' ' VAL . 35.9 m -147.52 107.39 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 CA-C-O 121.251 0.548 . . . . 0.0 110.338 -179.415 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -88.67 53.3 2.67 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.411 -0.806 . . . . 0.0 110.224 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 64.45 -61.58 0.19 Allowed 'General case' 0 N--CA 1.506 2.359 0 O-C-N 122.063 -0.398 . . . . 0.0 111.493 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.17 89.72 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.005 -1.06 . . . . 0.0 111.154 -179.03 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.24 -15.24 59.67 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.316 -0.865 . . . . 0.0 110.432 179.639 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -117.62 -45.85 2.68 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.285 -0.884 . . . . 0.0 110.439 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.4 p -55.87 -24.73 38.79 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.602 -0.686 . . . . 0.0 110.092 179.225 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -67.98 -29.8 68.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.576 -0.703 . . . . 0.0 109.694 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -88.74 -38.3 14.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.73 -0.606 . . . . 0.0 110.225 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.9 m -63.42 -29.62 70.89 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.546 -0.721 . . . . 0.0 110.005 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -67.08 -34.85 78.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.546 -0.721 . . . . 0.0 109.897 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -66.01 -33.29 75.47 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.563 -0.71 . . . . 0.0 109.87 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -88.34 -38.68 14.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.623 -0.673 . . . . 0.0 110.017 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -61.88 -52.41 64.22 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.603 -0.685 . . . . 0.0 110.037 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -62.83 -26.06 68.57 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.579 -0.701 . . . . 0.0 110.523 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.3 p -95.13 -14.44 24.18 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.525 -0.735 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mmm -56.47 162.74 2.03 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.154 -0.966 . . . . 0.0 110.582 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -91.17 176.0 6.74 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.536 -0.728 . . . . 0.0 110.45 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.09 -24.72 60.69 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.662 -0.649 . . . . 0.0 110.359 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -68.18 -31.88 71.73 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.495 -0.753 . . . . 0.0 109.759 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -92.82 -39.22 11.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.673 -0.642 . . . . 0.0 109.92 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -63.25 -22.8 67.1 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.69 -0.631 . . . . 0.0 110.328 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.0 p -77.88 -30.87 50.99 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.411 -0.805 . . . . 0.0 110.281 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -62.42 -29.71 70.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.525 -0.734 . . . . 0.0 110.201 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -89.74 -28.92 19.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.555 -0.716 . . . . 0.0 110.204 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.23 -28.85 47.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.517 -0.74 . . . . 0.0 110.208 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.53 -29.02 63.22 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.556 -0.715 . . . . 0.0 110.164 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 49.1 mmm -82.75 -29.7 29.53 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.581 -0.699 . . . . 0.0 110.144 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.64 -33.7 31.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.475 -0.766 . . . . 0.0 110.071 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -66.37 -33.95 76.88 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.566 -0.709 . . . . 0.0 110.092 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.6 t -69.73 -30.55 68.19 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.601 -0.687 . . . . 0.0 110.109 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.93 -35.06 29.52 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.598 -0.689 . . . . 0.0 110.114 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -40.26 87.86 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.622 -0.674 . . . . 0.0 110.329 179.914 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.26 -44.91 62.13 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.573 -0.704 . . . . 0.0 109.938 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -65.55 -14.16 60.49 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.681 -0.637 . . . . 0.0 110.617 179.672 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -93.91 24.44 4.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.21 -0.931 . . . . 0.0 110.562 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -83.27 -28.64 28.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.363 -0.835 . . . . 0.0 110.184 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -102.84 29.28 5.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.546 -0.721 . . . . 0.0 110.13 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -141.0 -45.36 0.39 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.591 -0.693 . . . . 0.0 110.24 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -31.11 25.49 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.47 -0.769 . . . . 0.0 110.207 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -88.67 -57.9 2.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.59 -0.693 . . . . 0.0 110.242 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.168 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ptp . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.137 0.494 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.99 32.07 8.15 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -115.48 -36.7 4.2 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.587 -0.949 . . . . 0.0 110.187 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.31 155.34 49.45 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.433 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.79 -60.09 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.468 -1.019 . . . . 0.0 110.246 179.702 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 5' ' ' ASP . 55.4 Cg_endo -72.84 -42.2 1.19 Allowed 'Trans proline' 0 N--CA 1.488 1.16 0 O-C-N 123.074 1.039 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.14 -53.78 2.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 122.004 -0.435 . . . . 0.0 110.397 -178.866 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.97 159.6 56.97 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.586 -0.697 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.84 166.8 28.98 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 O-C-N 123.381 1.2 . . . . 0.0 110.337 179.897 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -98.92 29.94 3.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.518 -0.739 . . . . 0.0 110.427 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.24 -170.71 43.29 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -110.46 -33.92 6.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.604 -0.939 . . . . 0.0 110.206 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.6 mtm 53.88 -177.32 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.466 -0.771 . . . . 0.0 110.709 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.449 ' H ' ' HB3' ' A' ' 17' ' ' ALA . 6.5 t -146.48 -179.56 6.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.628 -0.67 . . . . 0.0 110.207 -179.852 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.3 p -59.48 -29.16 67.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.562 -0.711 . . . . 0.0 110.435 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -75.82 -40.94 54.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.48 -0.763 . . . . 0.0 110.101 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB3' ' H ' ' A' ' 14' ' ' SER . . . -68.27 -34.43 76.17 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.541 -0.724 . . . . 0.0 110.007 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -73.7 -29.01 62.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.616 -0.678 . . . . 0.0 110.02 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -61.73 -55.61 28.46 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.569 -0.707 . . . . 0.0 110.079 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.78 -31.09 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.522 -0.736 . . . . 0.0 109.57 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -68.89 -47.47 65.78 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.599 -0.688 . . . . 0.0 109.792 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.6 m -77.78 -31.71 52.06 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.675 -0.64 . . . . 0.0 109.74 179.568 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.5 m -70.49 -31.08 68.05 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.608 -0.683 . . . . 0.0 109.822 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -69.93 -42.86 72.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.661 -0.65 . . . . 0.0 109.535 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -63.19 -36.25 83.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.659 -0.65 . . . . 0.0 109.288 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.76 -21.57 66.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.727 -0.608 . . . . 0.0 109.869 179.049 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 63.7 t60 -95.07 34.91 1.32 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.437 -0.789 . . . . 0.0 109.939 179.614 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -120.04 27.16 8.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.083 -1.011 . . . . 0.0 110.408 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.66 -80.61 0.63 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.477 -0.764 . . . . 0.0 110.193 179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 0.4 OUTLIER -93.39 51.27 1.59 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.284 -0.885 . . . . 0.0 109.846 179.633 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CE1' ' HG2' ' A' ' 30' ' ' LYS . 32.2 m80 -143.15 53.35 2.56 Favored Pre-proline 0 N--CA 1.494 1.737 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.875 -179.459 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 31' ' ' HIS . 47.4 Cg_endo -72.86 -49.23 0.25 Allowed 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.285 1.15 . . . . 0.0 110.563 -179.718 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -87.86 -27.51 22.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.643 -0.661 . . . . 0.0 110.408 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.1 t -76.96 85.52 3.49 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.545 -0.722 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.426 ' C ' HG13 ' A' ' 36' ' ' VAL . 14.4 t -72.5 175.09 6.58 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.523 -0.736 . . . . 0.0 110.195 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 36' ' ' VAL . 29.1 m -146.62 79.95 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.749 -179.245 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 39' ' ' ALA . 4.3 p-10 -71.98 63.6 0.49 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.437 -0.789 . . . . 0.0 110.184 179.561 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 56.86 -81.21 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.766 -0.584 . . . . 0.0 111.565 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 37' ' ' ASN . . . -44.12 -45.91 8.41 Favored 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.329 -0.857 . . . . 0.0 112.826 -178.521 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -20.89 51.12 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.262 -0.899 . . . . 0.0 110.14 179.522 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -110.27 -39.57 4.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.462 -0.774 . . . . 0.0 109.928 179.396 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 p -56.85 -23.46 44.37 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.408 0.623 . . . . 0.0 109.971 179.304 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -88.91 -27.65 20.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.606 -0.684 . . . . 0.0 110.266 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -85.05 -37.45 20.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.566 -0.708 . . . . 0.0 110.778 -179.62 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.7 p -58.83 -30.11 67.41 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.382 -0.824 . . . . 0.0 110.305 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 85.5 p -69.49 -40.1 77.24 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.59 -0.694 . . . . 0.0 109.956 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 51' ' ' THR . 5.4 mm-40 -63.99 -32.77 74.43 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.519 -0.738 . . . . 0.0 109.799 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -83.57 -39.66 20.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.585 -0.697 . . . . 0.0 110.046 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -69.49 -36.45 76.53 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.623 -0.673 . . . . 0.0 109.953 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -71.77 -29.45 64.5 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.61 -0.681 . . . . 0.0 110.006 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 47' ' ' GLU . 22.7 p -83.46 -27.31 29.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.613 -0.679 . . . . 0.0 110.235 179.904 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.6 mmm -59.73 147.44 37.77 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.48 -0.763 . . . . 0.0 110.271 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.1 m -100.03 -177.48 3.55 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.615 -0.678 . . . . 0.0 110.297 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.54 -22.69 64.49 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.6 -0.687 . . . . 0.0 110.631 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -69.17 -30.29 68.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.438 -0.789 . . . . 0.0 109.92 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -99.39 -42.36 7.01 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.718 -0.614 . . . . 0.0 109.96 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -63.24 -22.45 66.88 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.668 -0.645 . . . . 0.0 110.449 179.758 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.1 p -60.97 -29.93 69.96 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.512 -0.743 . . . . 0.0 110.331 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -65.88 -29.25 69.66 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.565 -0.709 . . . . 0.0 110.162 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -92.39 -28.48 16.86 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.579 -0.701 . . . . 0.0 110.206 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -71.98 -29.32 64.12 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.538 -0.726 . . . . 0.0 110.161 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -78.47 -27.98 46.41 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.641 -0.662 . . . . 0.0 110.245 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 96.1 mtp -77.94 -28.61 49.64 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.551 -0.718 . . . . 0.0 110.229 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.38 -29.09 37.8 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.508 -0.745 . . . . 0.0 110.211 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -77.26 -29.18 53.81 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.562 -0.711 . . . . 0.0 110.206 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -63.58 -36.02 82.41 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.626 -0.671 . . . . 0.0 110.129 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -82.23 -36.37 27.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.61 -0.681 . . . . 0.0 110.158 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -66.74 -29.96 70.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.587 -0.696 . . . . 0.0 110.174 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.53 -30.01 19.65 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.571 -0.705 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -77.65 -29.12 51.49 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.504 -0.747 . . . . 0.0 110.228 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -62.19 -26.79 68.55 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.473 -0.767 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -44.35 94.36 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.503 -0.748 . . . . 0.0 110.351 -179.82 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -110.21 33.25 4.57 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.578 -0.701 . . . . 0.0 110.31 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -90.23 -55.19 3.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.565 -0.709 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 73.2 mtp -105.34 -29.04 10.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.565 -0.71 . . . . 0.0 110.291 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -80.29 112.47 17.65 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.568 -0.707 . . . . 0.0 110.209 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.241 -179.987 . . . . . . . . 0 0 . 1 stop_ save_