data_1jlp_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 1jlp _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 ' 4' ' ' CYS . . . . . . . . . . . . . 41.7 t . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 119.37 3.1 . . . . 0.0 119.37 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.1 m -131.1 119.06 21.4 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.2 tp -109.55 112.34 24.38 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 111.629 -2.532 . . . . 0.0 106.672 168.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 65.18 51.83 1.58 Allowed 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.79 -13.97 3.83 Favored Glycine 0 N--CA 1.481 1.644 0 N-CA-C 120.721 3.048 . . . . 0.0 120.721 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.2 p -78.75 177.52 8.6 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -160.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.1 m -97.34 115.38 27.58 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 160.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 . . . . . 0 CA--C 1.563 1.449 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -168.656 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.777 0 N-CA-C 121.031 3.172 . . . . 0.0 121.031 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 t -83.67 -51.13 7.53 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 175.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -49.04 -28.08 3.77 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 117.494 2.405 . . . . 0.0 117.494 158.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -76.83 -28.12 55.41 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 159.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.19 159.84 27.2 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.774 1.23 . . . . 0.0 113.869 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.5 -44.91 61.61 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 -150.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.8 p -64.26 -54.85 26.82 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.5 t -103.1 68.91 1.0 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 122.521 1.153 . . . . 0.0 110.799 -175.027 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.8 t . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 118.296 2.702 . . . . 0.0 118.296 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 m -120.37 117.32 27.44 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 103.611 -2.737 . . . . 0.0 103.611 171.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.27 128.66 56.01 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 111.165 -2.743 . . . . 0.0 103.826 168.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 62.25 40.8 11.12 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -173.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.17 -16.67 1.56 Allowed Glycine 0 CA--C 1.542 1.776 0 N-CA-C 120.44 2.936 . . . . 0.0 120.44 -167.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.517 ' HG ' ' H ' ' A' ' 10' ' ' CYS . 2.0 t -90.62 -155.08 0.37 Allowed 'General case' 0 CA--C 1.571 1.777 0 CA-C-N 119.001 1.4 . . . . 0.0 112.902 -152.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.517 ' H ' ' HG ' ' A' ' 9' ' ' SER . 17.7 m -114.74 119.91 38.27 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.173 -0.954 . . . . 0.0 108.443 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 . . . . . 0 CA--C 1.564 1.501 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 -177.273 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.876 0 N-CA-C 121.011 3.164 . . . . 0.0 121.011 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -85.31 -49.58 8.05 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -55.48 -18.64 7.52 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 156.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -82.72 -22.97 34.27 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 156.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.17 153.92 20.85 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.774 1.23 . . . . 0.0 112.78 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -69.22 -45.4 69.94 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -151.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.27 -42.91 96.23 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.91 48.43 1.02 Allowed 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 118.39 0.541 . . . . 0.0 110.55 171.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.806 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 120.728 3.603 . . . . 0.0 120.728 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.4 m -120.6 113.87 20.88 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 103.858 -2.645 . . . . 0.0 103.858 169.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.38 127.29 36.15 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 111.672 -2.513 . . . . 0.0 106.592 170.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 55.01 42.19 31.23 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.75 -15.95 2.75 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 121.067 3.187 . . . . 0.0 121.067 -165.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.279 4.7 t -89.08 -122.03 0.05 Allowed 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 119.487 1.644 . . . . 0.0 111.608 -156.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.6 t -150.43 145.79 26.26 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 121.248 1.84 . . . . 0.0 111.402 169.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 . . . . . 0 CA--C 1.564 1.507 0 CA-C-N 113.14 -1.845 . . . . 0.0 106.545 -156.904 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.887 0 N-CA-C 121.088 3.195 . . . . 0.0 121.088 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.1 t -84.81 -48.84 8.97 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 175.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -55.1 -25.06 28.9 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 159.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -76.32 -25.81 55.16 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 158.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.11 152.74 22.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.533 1.133 . . . . 0.0 113.132 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.18 -49.32 67.76 Favored 'General case' 0 CA--C 1.557 1.23 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 -151.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.3 p -60.08 -44.53 94.7 Favored 'General case' 0 CA--C 1.561 1.377 0 N-CA-C 117.802 2.519 . . . . 0.0 117.802 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -106.32 37.81 2.2 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 . . . . . 0 CA--C 1.562 1.43 0 C-N-CA 123.311 0.645 . . . . 0.0 111.613 167.587 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 CA--C 1.54 0.583 0 N-CA-C 118.85 2.907 . . . . 0.0 118.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.8 m -133.9 121.84 22.29 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 104.073 -2.566 . . . . 0.0 104.073 170.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 tp -105.03 115.02 29.56 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 112.77 -2.014 . . . . 0.0 108.092 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 61.05 49.7 5.51 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.56 -10.28 8.91 Favored Glycine 0 N--CA 1.477 1.432 0 N-CA-C 120.987 3.155 . . . . 0.0 120.987 -169.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 19.4 p -81.89 -140.91 0.05 OUTLIER 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 118.548 1.174 . . . . 0.0 113.588 -162.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -151.46 142.51 23.11 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 123.389 1.566 . . . . 0.0 110.255 167.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 . . . . . 0 CA--C 1.566 1.569 0 CA-C-N 112.917 -1.947 . . . . 0.0 106.43 -161.673 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.814 0 N-CA-C 121.095 3.198 . . . . 0.0 121.095 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.2 -51.13 6.83 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -57.36 -17.28 11.77 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 159.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -82.98 -27.11 30.67 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 156.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.77 149.85 26.17 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.708 1.203 . . . . 0.0 112.976 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -39.35 93.89 Favored 'General case' 0 CA--C 1.566 1.592 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -148.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -70.53 -44.12 68.17 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 t -113.8 59.02 0.67 Allowed 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 123.17 1.462 . . . . 0.0 110.356 -176.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-N 112.603 -2.089 . . . . 0.0 111.93 -153.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.6 t . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 118.199 2.666 . . . . 0.0 118.199 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.9 m -127.65 121.62 30.92 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 103.639 -2.726 . . . . 0.0 103.639 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -120.31 117.52 28.03 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 110.705 -2.952 . . . . 0.0 105.345 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 61.01 47.67 7.18 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 113.055 -1.884 . . . . 0.0 115.906 -170.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.21 -23.79 1.42 Allowed Glycine 0 CA--C 1.538 1.518 0 N-CA-C 120.025 2.77 . . . . 0.0 120.025 -169.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 2.9 t -87.87 -149.0 0.16 Allowed 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 118.452 1.126 . . . . 0.0 112.861 -153.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.9 m -121.65 121.8 38.18 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.135 -0.978 . . . . 0.0 108.595 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 . . . . . 0 CA--C 1.564 1.516 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 -177.003 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.801 0 N-CA-C 121.172 3.229 . . . . 0.0 121.172 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 t -85.11 -50.35 7.49 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 173.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -57.67 -14.64 5.87 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 158.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -85.45 -23.85 27.68 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 155.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.16 151.43 25.71 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.739 1.216 . . . . 0.0 112.871 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.23 -46.17 68.01 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -151.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.2 p -63.42 -42.97 98.73 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 118.482 2.771 . . . . 0.0 118.482 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.8 t -112.19 47.92 1.03 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 118.798 0.727 . . . . 0.0 110.607 171.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 ttt-85 . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -176.471 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 m -129.12 123.55 32.45 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 104.218 -2.512 . . . . 0.0 104.218 171.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 tp -111.76 113.78 26.36 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 112.499 -2.137 . . . . 0.0 107.184 169.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 63.86 51.86 2.26 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -177.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.46 -13.73 4.7 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 120.864 3.105 . . . . 0.0 120.864 -171.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.6 p -79.39 -163.31 0.49 Allowed 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -162.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 t -123.97 142.72 50.91 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 122.825 1.298 . . . . 0.0 109.372 163.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 . . . . . 0 CA--C 1.565 1.529 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -167.66 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.782 0 N-CA-C 121.284 3.274 . . . . 0.0 121.284 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -82.92 -49.93 9.12 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -55.75 -25.21 39.59 Favored 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 162.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -76.04 -25.48 55.69 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 158.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.23 153.71 31.67 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 122.5 1.143 . . . . 0.0 113.885 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -71.8 -37.59 70.38 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -155.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.6 p -64.36 -49.98 69.52 Favored 'General case' 0 CA--C 1.558 1.25 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 172.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.5 t -98.89 74.58 2.03 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 172.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 . . . . . 0 CA--C 1.558 1.268 0 CA-C-O 123.054 1.407 . . . . 0.0 113.023 -173.221 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.6 t . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 119.628 3.195 . . . . 0.0 119.628 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.3 m -125.24 118.98 27.21 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 103.922 -2.622 . . . . 0.0 103.922 165.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.05 120.39 40.43 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 169.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 70.58 42.74 0.83 Allowed 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -173.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.62 -4.5 3.97 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 120.748 3.059 . . . . 0.0 120.748 -169.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 p -79.88 -168.46 1.62 Allowed 'General case' 0 CA--C 1.566 1.582 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 -161.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 t -106.72 135.68 47.85 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.641 1.21 . . . . 0.0 108.057 149.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 . . . . . 0 CA--C 1.563 1.459 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -164.08 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.851 0 N-CA-C 121.192 3.237 . . . . 0.0 121.192 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.17 -48.5 10.45 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -51.77 -28.14 14.37 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 161.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -75.67 -26.65 57.84 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 159.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.46 157.26 24.96 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.659 1.184 . . . . 0.0 113.878 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.11 -41.6 58.21 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -151.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.2 p -59.83 -50.08 75.18 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 173.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.4 t -98.39 75.85 2.25 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 . . . . . 0 CA--C 1.561 1.369 0 CA-C-N 114.507 -1.224 . . . . 0.0 113.352 -176.624 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 119.883 3.29 . . . . 0.0 119.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 m -114.25 115.02 26.77 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 103.853 -2.647 . . . . 0.0 103.853 168.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.16 126.94 41.74 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 111.52 -2.582 . . . . 0.0 106.194 172.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 56.71 42.84 26.28 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 116.803 2.149 . . . . 0.0 116.803 -175.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.41 -17.24 1.99 Allowed Glycine 0 CA--C 1.539 1.585 0 N-CA-C 120.926 3.131 . . . . 0.0 120.926 -165.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.284 4.9 t -88.87 -122.58 0.05 Allowed 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 119.255 1.527 . . . . 0.0 111.754 -155.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 t -150.68 145.74 26.02 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 121.043 1.747 . . . . 0.0 110.575 171.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 . . . . . 0 CA--C 1.566 1.573 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 -167.892 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.954 0 N-CA-C 121.192 3.237 . . . . 0.0 121.192 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 t -78.25 -47.51 17.77 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 172.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -50.43 -30.92 13.66 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 117.027 2.232 . . . . 0.0 117.027 161.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -75.88 -25.87 56.52 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 161.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.49 153.02 33.87 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.438 1.095 . . . . 0.0 113.617 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.67 -38.72 70.61 Favored 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -152.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 p -63.4 -49.84 72.23 Favored 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.0 t -100.18 73.91 1.73 Allowed 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 . . . . . 0 CA--C 1.561 1.403 0 CA-C-O 122.665 1.222 . . . . 0.0 113.633 -173.251 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.7 t . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 119.165 3.024 . . . . 0.0 119.165 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.1 m -113.41 110.71 20.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 171.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.44 118.16 36.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 110.408 -3.087 . . . . 0.0 105.464 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 60.19 47.3 9.46 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -170.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.96 -19.04 1.29 Allowed Glycine 0 CA--C 1.543 1.799 0 N-CA-C 120.276 2.87 . . . . 0.0 120.276 -168.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.256 3.4 t -92.26 -143.32 0.2 Allowed 'General case' 0 CA--C 1.571 1.766 0 CA-C-N 118.718 1.259 . . . . 0.0 112.644 -153.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.4 m -123.96 122.02 36.84 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 . . . . . 0 CA--C 1.564 1.506 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -171.616 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.813 0 N-CA-C 120.938 3.135 . . . . 0.0 120.938 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -82.22 -50.28 9.17 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -48.08 -29.35 3.49 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 117.549 2.425 . . . . 0.0 117.549 158.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -76.98 -27.87 54.9 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 160.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.61 155.29 29.67 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.743 1.217 . . . . 0.0 113.598 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.63 -40.3 66.53 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 -149.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 p -66.44 -52.34 47.42 Favored 'General case' 0 CA--C 1.558 1.281 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 t -103.21 68.46 0.97 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 . . . . . 0 CA--C 1.559 1.309 0 CA-C-O 122.51 1.147 . . . . 0.0 111.009 -173.775 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 118.386 2.736 . . . . 0.0 118.386 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.1 m -119.84 115.95 24.87 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 168.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.68 128.39 55.22 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 110.909 -2.86 . . . . 0.0 104.1 170.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 61.67 39.73 14.02 Favored 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 116.979 2.215 . . . . 0.0 116.979 -173.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.1 -16.6 1.55 Allowed Glycine 0 CA--C 1.539 1.59 0 N-CA-C 120.435 2.934 . . . . 0.0 120.435 -166.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.482 ' HG ' ' H ' ' A' ' 10' ' ' CYS . 1.9 t -87.54 -154.43 0.25 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-N 119.269 1.534 . . . . 0.0 112.189 -155.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.482 ' H ' ' HG ' ' A' ' 9' ' ' SER . 84.7 m -122.18 118.67 29.18 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.823 -1.173 . . . . 0.0 108.955 174.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 . . . . . 0 CA--C 1.565 1.527 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -170.704 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.856 0 N-CA-C 121.162 3.225 . . . . 0.0 121.162 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.1 t -82.14 -48.69 11.02 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -53.36 -26.11 17.93 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 161.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -77.93 -26.33 48.89 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 159.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.88 158.54 23.95 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.602 1.191 . . . . 0.0 113.602 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -46.28 52.32 Favored 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -147.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.4 p -58.9 -55.53 33.9 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -110.19 70.55 0.73 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 176.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 . . . . . 0 CA--C 1.559 1.319 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.224 -175.329 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 m -129.73 115.73 17.73 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 103.408 -2.812 . . . . 0.0 103.408 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -105.78 114.68 28.98 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 111.112 -2.767 . . . . 0.0 105.663 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 61.66 50.4 4.46 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -173.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.36 -19.86 1.04 Allowed Glycine 0 N--CA 1.476 1.348 0 N-CA-C 120.313 2.885 . . . . 0.0 120.313 -170.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.278 4.1 t -87.19 -130.43 0.06 Allowed 'General case' 0 CA--C 1.564 1.517 0 CA-C-N 118.977 1.388 . . . . 0.0 111.234 -155.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 t -145.37 143.67 30.25 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 120.792 1.633 . . . . 0.0 111.294 169.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 . . . . . 0 CA--C 1.565 1.55 0 CA-C-N 112.889 -1.96 . . . . 0.0 106.145 -157.732 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.841 0 N-CA-C 120.975 3.15 . . . . 0.0 120.975 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.1 t -85.62 -51.2 6.64 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -56.02 -16.72 5.31 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 157.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -84.98 -23.85 28.54 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 156.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.32 152.67 23.11 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.728 1.211 . . . . 0.0 113.026 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.62 -46.68 68.64 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -151.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.9 p -62.45 -43.76 98.03 Favored 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -112.15 46.96 1.1 Allowed 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 118.463 0.574 . . . . 0.0 111.066 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 . . . . . 0 CA--C 1.559 1.292 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -176.059 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 119.345 3.091 . . . . 0.0 119.345 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 m -127.2 116.17 20.2 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.363 -2.828 . . . . 0.0 103.363 171.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -107.18 114.49 28.58 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 111.217 -2.719 . . . . 0.0 105.55 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 62.2 51.1 3.62 Favored 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 115.813 1.782 . . . . 0.0 115.813 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.62 -20.74 0.99 Allowed Glycine 0 CA--C 1.536 1.403 0 N-CA-C 120.276 2.87 . . . . 0.0 120.276 -170.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.275 3.9 t -88.4 -134.21 0.09 Allowed 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 118.777 1.288 . . . . 0.0 111.525 -154.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 t -136.36 142.68 43.8 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 120.292 1.406 . . . . 0.0 109.957 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 . . . . . 0 CA--C 1.565 1.531 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 -164.462 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.799 0 N-CA-C 121.058 3.183 . . . . 0.0 121.058 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.0 t -86.19 -53.21 5.18 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.06 -27.76 6.08 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 158.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -76.51 -28.5 56.41 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.442 2.015 . . . . 0.0 116.442 159.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.72 157.99 29.84 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 122.706 1.241 . . . . 0.0 113.895 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -44.91 61.08 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-N 113.803 -1.544 . . . . 0.0 115.044 -152.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -64.09 -54.03 40.36 Favored 'General case' 0 CA--C 1.558 1.251 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t -103.48 67.68 0.92 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 . . . . . 0 CA--C 1.559 1.301 0 CA-C-O 122.838 1.304 . . . . 0.0 110.76 -175.05 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 119.229 3.048 . . . . 0.0 119.229 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 13.7 m -115.41 115.6 26.84 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 104.319 -2.474 . . . . 0.0 104.319 168.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.54 120.6 40.82 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 110.405 -3.089 . . . . 0.0 105.882 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 57.5 45.58 19.34 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -171.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.03 -19.21 1.76 Allowed Glycine 0 CA--C 1.536 1.389 0 N-CA-C 120.626 3.01 . . . . 0.0 120.626 -168.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 3.6 t -86.38 -134.86 0.07 Allowed 'General case' 0 CA--C 1.568 1.659 0 CA-C-N 119.169 1.484 . . . . 0.0 111.931 -157.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.9 m -140.43 129.81 23.91 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 120.871 1.669 . . . . 0.0 109.449 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 . . . . . 0 CA--C 1.567 1.619 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 -170.916 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.906 0 N-CA-C 121.271 3.268 . . . . 0.0 121.271 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.1 t -81.61 -46.79 13.89 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 176.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -54.1 -26.4 27.04 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 161.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -76.41 -24.19 54.03 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 116.727 2.121 . . . . 0.0 116.727 159.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.15 164.18 23.52 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.851 1.31 . . . . 0.0 114.53 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.28 -48.34 61.97 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 113.487 -1.688 . . . . 0.0 114.908 -155.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -62.04 -55.56 27.86 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 174.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 80.9 m -101.2 77.39 1.8 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 . . . . . 0 CA--C 1.561 1.386 0 CA-C-N 113.241 -1.8 . . . . 0.0 113.436 -174.059 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 119.042 2.978 . . . . 0.0 119.042 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 6.3 m -114.27 118.67 34.59 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.91 -2.626 . . . . 0.0 103.91 173.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.36 111.05 23.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 111.078 -2.783 . . . . 0.0 106.906 -175.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 55.84 49.04 16.85 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -171.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.08 -31.8 1.78 Allowed Glycine 0 CA--C 1.54 1.647 0 N-CA-C 119.939 2.735 . . . . 0.0 119.939 -162.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -92.48 147.84 22.58 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 122.71 1.243 . . . . 0.0 112.817 -157.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.1 m -77.14 123.39 26.33 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 113.745 -1.57 . . . . 0.0 112.317 -167.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 . . . . . 0 CA--C 1.566 1.565 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -165.023 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.881 0 N-CA-C 121.182 3.233 . . . . 0.0 121.182 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.2 t -84.5 -46.74 11.32 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -56.05 -16.56 5.18 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 160.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -86.62 -25.78 24.74 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 157.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.19 149.66 25.36 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.635 1.174 . . . . 0.0 113.016 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.89 -53.48 45.96 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.312 1.968 . . . . 0.0 116.312 -147.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.6 p -53.5 -42.22 67.09 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 119.062 2.986 . . . . 0.0 119.062 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 77.8 m -121.55 50.3 1.42 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.591 0.71 . . . . 0.0 110.299 174.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 . . . . . 0 CA--C 1.56 1.33 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.728 173.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 118.528 2.788 . . . . 0.0 118.528 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 6.6 m -125.2 126.79 45.77 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 171.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -126.99 105.47 8.63 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 112.705 -2.043 . . . . 0.0 106.682 -173.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 66.51 51.96 1.09 Allowed 'General case' 0 CA--C 1.565 1.539 0 CA-C-N 113.463 -1.698 . . . . 0.0 115.189 -168.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.37 -28.89 1.99 Allowed Glycine 0 N--CA 1.478 1.461 0 N-CA-C 119.373 2.509 . . . . 0.0 119.373 -164.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -107.65 135.68 48.68 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -150.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 m -68.69 131.2 44.8 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 114.163 -1.38 . . . . 0.0 112.069 -167.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 . . . . . 0 CA--C 1.565 1.532 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 -158.85 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.847 0 N-CA-C 121.195 3.238 . . . . 0.0 121.195 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.2 t -81.14 -48.45 12.11 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -52.48 -29.55 25.44 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 160.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -73.83 -24.68 59.82 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 160.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.11 162.56 24.7 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 122.964 1.364 . . . . 0.0 114.257 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.83 -49.15 49.37 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.477 -1.692 . . . . 0.0 114.836 -153.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 p -59.3 -58.96 6.34 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 91.7 m -102.62 76.52 1.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 . . . . . 0 CA--C 1.562 1.44 0 CA-C-N 113.618 -1.628 . . . . 0.0 113.963 -173.231 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.3 t . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 118.568 2.803 . . . . 0.0 118.568 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.8 m -120.48 118.05 29.27 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 102.976 -2.972 . . . . 0.0 102.976 165.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.88 129.3 55.91 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 170.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 62.55 40.32 10.71 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.95 -13.27 1.39 Allowed Glycine 0 CA--C 1.539 1.564 0 N-CA-C 120.749 3.059 . . . . 0.0 120.749 -167.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.257 3.9 t -89.09 -132.79 0.09 Allowed 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 119.351 1.575 . . . . 0.0 111.434 -155.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.3 t -142.13 142.86 32.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 123.087 1.422 . . . . 0.0 109.785 165.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 CA--C 1.564 1.499 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 -166.688 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.813 0 N-CA-C 121.104 3.201 . . . . 0.0 121.104 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 t -82.64 -48.43 10.93 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -55.6 -24.2 31.65 Favored 'General case' 0 CA--C 1.574 1.904 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 159.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -77.44 -25.38 50.6 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 116.398 1.999 . . . . 0.0 116.398 158.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.2 151.79 23.83 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.546 1.138 . . . . 0.0 112.968 -177.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -66.13 -49.63 66.8 Favored 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -149.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.4 p -58.81 -45.91 88.85 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -104.67 36.0 2.57 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 . . . . . 0 CA--C 1.562 1.42 0 C-N-CA 123.4 0.68 . . . . 0.0 111.766 167.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 118.912 2.93 . . . . 0.0 118.912 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.2 m -124.92 115.53 20.75 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 172.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.32 120.76 42.7 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 111.164 -2.744 . . . . 0.0 106.662 170.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 59.19 48.21 10.7 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.84 -21.77 1.56 Allowed Glycine 0 CA--C 1.542 1.72 0 N-CA-C 120.224 2.849 . . . . 0.0 120.224 -168.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.42 ' HG ' ' H ' ' A' ' 10' ' ' CYS 0.255 2.9 t -90.87 -148.69 0.21 Allowed 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 118.628 1.214 . . . . 0.0 112.613 -152.433 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.42 ' H ' ' HG ' ' A' ' 9' ' ' SER . 15.3 m -119.1 122.34 41.86 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 . . . . . 0 CA--C 1.562 1.433 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 -169.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.82 0 N-CA-C 120.989 3.155 . . . . 0.0 120.989 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.8 t -85.43 -51.16 6.73 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 173.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -55.84 -15.47 3.33 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 157.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -86.13 -24.27 26.28 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 156.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.37 153.63 24.46 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.777 1.231 . . . . 0.0 112.877 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -52.27 44.22 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -152.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 p -62.05 -40.14 94.74 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.0 t -114.64 49.13 1.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.252 0.548 . . . . 0.0 110.473 169.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -178.938 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 N-CA-C 117.138 1.615 . . . . 0.0 117.138 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.7 t -61.56 -38.95 89.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 109.909 -3.314 . . . . 0.0 119.37 161.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.1 m -131.1 119.06 21.4 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.2 tp -109.55 112.34 24.38 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 111.629 -2.532 . . . . 0.0 106.672 168.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 65.18 51.83 1.58 Allowed 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.79 -13.97 3.83 Favored Glycine 0 N--CA 1.481 1.644 0 N-CA-C 120.721 3.048 . . . . 0.0 120.721 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.2 p -78.75 177.52 8.6 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -160.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.1 m -97.34 115.38 27.58 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 160.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -130.67 99.44 4.96 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -168.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -149.13 162.98 38.89 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.291 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.92 15.28 79.43 Favored Glycine 0 CA--C 1.542 1.777 0 CA-C-N 109.401 -3.545 . . . . 0.0 121.031 -164.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 t -83.67 -51.13 7.53 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 175.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -49.04 -28.08 3.77 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 117.494 2.405 . . . . 0.0 117.494 158.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -76.83 -28.12 55.41 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 159.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.19 159.84 27.2 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.774 1.23 . . . . 0.0 113.869 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.5 -44.91 61.61 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 -150.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.8 p -64.26 -54.85 26.82 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.5 t -103.1 68.91 1.0 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -88.55 68.69 8.78 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 122.521 1.153 . . . . 0.0 110.799 -175.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -108.34 -138.1 0.37 Allowed 'General case' 0 CA--C 1.563 1.456 0 CA-C-N 113.859 -1.518 . . . . 0.0 108.591 -171.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.554 0 O-C-N 118.124 -2.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.359 0 N-CA-C 117.174 1.63 . . . . 0.0 117.174 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.8 t -51.94 -51.48 56.72 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 110.059 -3.246 . . . . 0.0 118.296 158.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 m -120.37 117.32 27.44 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 103.611 -2.737 . . . . 0.0 103.611 171.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.27 128.66 56.01 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 111.165 -2.743 . . . . 0.0 103.826 168.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 62.25 40.8 11.12 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -173.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.17 -16.67 1.56 Allowed Glycine 0 CA--C 1.542 1.776 0 N-CA-C 120.44 2.936 . . . . 0.0 120.44 -167.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.517 ' HG ' ' H ' ' A' ' 10' ' ' CYS . 2.0 t -90.62 -155.08 0.37 Allowed 'General case' 0 CA--C 1.571 1.777 0 CA-C-N 119.001 1.4 . . . . 0.0 112.902 -152.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.517 ' H ' ' HG ' ' A' ' 9' ' ' SER . 17.7 m -114.74 119.91 38.27 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.173 -0.954 . . . . 0.0 108.443 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -136.67 105.64 5.93 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -146.3 162.68 37.61 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 114.074 -1.421 . . . . 0.0 111.006 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.67 15.39 79.61 Favored Glycine 0 CA--C 1.544 1.876 0 CA-C-N 109.613 -3.449 . . . . 0.0 121.011 -164.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -85.31 -49.58 8.05 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -55.48 -18.64 7.52 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 156.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -82.72 -22.97 34.27 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 156.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.17 153.92 20.85 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.774 1.23 . . . . 0.0 112.78 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -69.22 -45.4 69.94 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -151.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.27 -42.91 96.23 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.91 48.43 1.02 Allowed 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 118.39 0.541 . . . . 0.0 110.55 171.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -71.17 -53.81 13.2 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -94.52 75.05 3.8 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 121.666 0.746 . . . . 0.0 109.557 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 O-C-N 117.056 -3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.34 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.2 t -44.39 -41.02 5.85 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 120.728 3.603 . . . . 0.0 120.728 158.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.4 m -120.6 113.87 20.88 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 103.858 -2.645 . . . . 0.0 103.858 169.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.38 127.29 36.15 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 111.672 -2.513 . . . . 0.0 106.592 170.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 55.01 42.19 31.23 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.75 -15.95 2.75 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 121.067 3.187 . . . . 0.0 121.067 -165.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.279 4.7 t -89.08 -122.03 0.05 Allowed 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 119.487 1.644 . . . . 0.0 111.608 -156.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.6 t -150.43 145.79 26.26 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 121.248 1.84 . . . . 0.0 111.402 169.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -160.55 103.18 1.38 Allowed 'General case' 0 CA--C 1.564 1.507 0 CA-C-N 113.14 -1.845 . . . . 0.0 106.545 -156.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -146.69 163.81 34.71 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 114.205 -1.361 . . . . 0.0 111.212 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.96 12.61 83.21 Favored Glycine 0 CA--C 1.544 1.887 0 CA-C-N 109.683 -3.417 . . . . 0.0 121.088 -164.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.1 t -84.81 -48.84 8.97 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 175.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -55.1 -25.06 28.9 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 159.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -76.32 -25.81 55.16 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 158.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.11 152.74 22.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.533 1.133 . . . . 0.0 113.132 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.18 -49.32 67.76 Favored 'General case' 0 CA--C 1.557 1.23 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 -151.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.3 p -60.08 -44.53 94.7 Favored 'General case' 0 CA--C 1.561 1.377 0 N-CA-C 117.802 2.519 . . . . 0.0 117.802 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -106.32 37.81 2.2 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -72.49 -61.49 1.78 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.311 0.645 . . . . 0.0 111.613 167.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -98.99 -134.49 0.27 Allowed 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.649 0 O-C-N 118.761 -2.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.777 0 N-CA-C 116.593 1.397 . . . . 0.0 116.593 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t -64.75 -39.12 93.1 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 109.738 -3.392 . . . . 0.0 118.85 165.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.8 m -133.9 121.84 22.29 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 104.073 -2.566 . . . . 0.0 104.073 170.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 tp -105.03 115.02 29.56 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 112.77 -2.014 . . . . 0.0 108.092 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 61.05 49.7 5.51 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.56 -10.28 8.91 Favored Glycine 0 N--CA 1.477 1.432 0 N-CA-C 120.987 3.155 . . . . 0.0 120.987 -169.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 19.4 p -81.89 -140.91 0.05 OUTLIER 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 118.548 1.174 . . . . 0.0 113.588 -162.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -151.46 142.51 23.11 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 123.389 1.566 . . . . 0.0 110.255 167.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -154.56 103.19 2.45 Favored 'General case' 0 CA--C 1.566 1.569 0 CA-C-N 112.917 -1.947 . . . . 0.0 106.43 -161.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -150.36 163.96 37.04 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.19 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.14 12.39 80.96 Favored Glycine 0 CA--C 1.543 1.814 0 CA-C-N 109.53 -3.486 . . . . 0.0 121.095 -163.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.2 -51.13 6.83 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -57.36 -17.28 11.77 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 159.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -82.98 -27.11 30.67 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 156.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.77 149.85 26.17 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.708 1.203 . . . . 0.0 112.976 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -39.35 93.89 Favored 'General case' 0 CA--C 1.566 1.592 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -148.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -70.53 -44.12 68.17 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 t -113.8 59.02 0.67 Allowed 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 123.17 1.462 . . . . 0.0 110.356 -176.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.41 -63.01 1.44 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 112.603 -2.089 . . . . 0.0 111.93 -153.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -96.67 -138.81 0.27 Allowed 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.776 0.831 . . . . 0.0 109.237 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 O-C-N 117.933 -2.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.366 0 N-CA-C 117.075 1.59 . . . . 0.0 117.075 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.6 t -59.27 -46.43 88.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 109.831 -3.349 . . . . 0.0 118.199 161.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.9 m -127.65 121.62 30.92 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 103.639 -2.726 . . . . 0.0 103.639 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -120.31 117.52 28.03 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 110.705 -2.952 . . . . 0.0 105.345 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 61.01 47.67 7.18 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 113.055 -1.884 . . . . 0.0 115.906 -170.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.21 -23.79 1.42 Allowed Glycine 0 CA--C 1.538 1.518 0 N-CA-C 120.025 2.77 . . . . 0.0 120.025 -169.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 2.9 t -87.87 -149.0 0.16 Allowed 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 118.452 1.126 . . . . 0.0 112.861 -153.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.9 m -121.65 121.8 38.18 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.135 -0.978 . . . . 0.0 108.595 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -135.0 103.13 5.45 Favored 'General case' 0 CA--C 1.564 1.516 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -147.87 163.18 37.56 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.029 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.78 13.29 80.03 Favored Glycine 0 CA--C 1.543 1.801 0 CA-C-N 109.419 -3.537 . . . . 0.0 121.172 -163.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 t -85.11 -50.35 7.49 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 173.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -57.67 -14.64 5.87 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 158.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -85.45 -23.85 27.68 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 155.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.16 151.43 25.71 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.739 1.216 . . . . 0.0 112.871 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.23 -46.17 68.01 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -151.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.2 p -63.42 -42.97 98.73 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 118.482 2.771 . . . . 0.0 118.482 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.8 t -112.19 47.92 1.03 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 118.798 0.727 . . . . 0.0 110.607 171.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 ttt-85 -71.58 -54.52 10.2 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -99.08 75.69 2.05 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 121.615 0.721 . . . . 0.0 109.376 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 O-C-N 117.066 -3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.836 0 N-CA-C 116.541 1.376 . . . . 0.0 116.541 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.08 -40.18 86.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 109.724 -3.398 . . . . 0.0 118.701 164.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 m -129.12 123.55 32.45 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 104.218 -2.512 . . . . 0.0 104.218 171.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 tp -111.76 113.78 26.36 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 112.499 -2.137 . . . . 0.0 107.184 169.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 63.86 51.86 2.26 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -177.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.46 -13.73 4.7 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 120.864 3.105 . . . . 0.0 120.864 -171.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.6 p -79.39 -163.31 0.49 Allowed 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -162.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 t -123.97 142.72 50.91 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 122.825 1.298 . . . . 0.0 109.372 163.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -149.94 105.89 3.45 Favored 'General case' 0 CA--C 1.565 1.529 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -167.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -149.4 163.09 38.71 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.86 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.83 5.82 89.01 Favored Glycine 0 CA--C 1.543 1.782 0 CA-C-N 109.486 -3.506 . . . . 0.0 121.284 -164.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -82.92 -49.93 9.12 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -55.75 -25.21 39.59 Favored 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 162.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -76.04 -25.48 55.69 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 158.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.23 153.71 31.67 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 122.5 1.143 . . . . 0.0 113.885 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -71.8 -37.59 70.38 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -155.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.6 p -64.36 -49.98 69.52 Favored 'General case' 0 CA--C 1.558 1.25 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 172.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.5 t -98.89 74.58 2.03 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 172.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -83.46 67.37 9.32 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 123.054 1.407 . . . . 0.0 113.023 -173.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -96.27 67.09 2.51 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.057 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 116.68 -3.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.347 0 N-CA-C 117.143 1.617 . . . . 0.0 117.143 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.6 t -55.22 -41.72 72.42 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 110.141 -3.209 . . . . 0.0 119.628 161.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.3 m -125.24 118.98 27.21 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 103.922 -2.622 . . . . 0.0 103.922 165.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.05 120.39 40.43 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 169.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 70.58 42.74 0.83 Allowed 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -173.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.62 -4.5 3.97 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 120.748 3.059 . . . . 0.0 120.748 -169.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 p -79.88 -168.46 1.62 Allowed 'General case' 0 CA--C 1.566 1.582 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 -161.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 t -106.72 135.68 47.85 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.641 1.21 . . . . 0.0 108.057 149.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -148.39 99.43 3.03 Favored 'General case' 0 CA--C 1.563 1.459 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -164.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -148.64 163.31 37.66 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 114.126 -1.397 . . . . 0.0 111.157 -176.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.03 11.73 84.14 Favored Glycine 0 CA--C 1.544 1.851 0 CA-C-N 109.539 -3.482 . . . . 0.0 121.192 -164.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.17 -48.5 10.45 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -51.77 -28.14 14.37 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 161.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -75.67 -26.65 57.84 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 159.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.46 157.26 24.96 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.659 1.184 . . . . 0.0 113.878 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.11 -41.6 58.21 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -151.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.2 p -59.83 -50.08 75.18 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 173.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.4 t -98.39 75.85 2.25 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -81.49 65.04 6.46 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-N 114.507 -1.224 . . . . 0.0 113.352 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -97.38 65.69 1.97 Allowed 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.737 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 117.102 -3.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.372 0 N-CA-C 116.973 1.549 . . . . 0.0 116.973 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.8 t -38.51 -48.29 1.38 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 119.883 3.29 . . . . 0.0 119.883 158.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 m -114.25 115.02 26.77 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 103.853 -2.647 . . . . 0.0 103.853 168.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.16 126.94 41.74 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 111.52 -2.582 . . . . 0.0 106.194 172.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 56.71 42.84 26.28 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 116.803 2.149 . . . . 0.0 116.803 -175.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.41 -17.24 1.99 Allowed Glycine 0 CA--C 1.539 1.585 0 N-CA-C 120.926 3.131 . . . . 0.0 120.926 -165.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.284 4.9 t -88.87 -122.58 0.05 Allowed 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 119.255 1.527 . . . . 0.0 111.754 -155.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 t -150.68 145.74 26.02 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 121.043 1.747 . . . . 0.0 110.575 171.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -158.79 107.84 1.94 Allowed 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 -167.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -93.98 166.08 12.33 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.515 161.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.1 10.27 85.09 Favored Glycine 0 CA--C 1.545 1.954 0 CA-C-N 109.653 -3.43 . . . . 0.0 121.192 -163.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 t -78.25 -47.51 17.77 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 172.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -50.43 -30.92 13.66 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 117.027 2.232 . . . . 0.0 117.027 161.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -75.88 -25.87 56.52 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 161.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.49 153.02 33.87 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.438 1.095 . . . . 0.0 113.617 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.67 -38.72 70.61 Favored 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -152.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 p -63.4 -49.84 72.23 Favored 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.0 t -100.18 73.91 1.73 Allowed 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -83.43 63.25 7.21 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 122.665 1.222 . . . . 0.0 113.633 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -92.72 63.81 4.0 Favored 'General case' 0 CA--C 1.567 1.611 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.335 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 O-C-N 117.022 -3.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.729 0 N-CA-C 116.632 1.413 . . . . 0.0 116.632 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.7 t -41.01 -50.2 3.32 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 119.165 3.024 . . . . 0.0 119.165 159.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.1 m -113.41 110.71 20.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 171.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.44 118.16 36.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 110.408 -3.087 . . . . 0.0 105.464 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 60.19 47.3 9.46 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -170.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.96 -19.04 1.29 Allowed Glycine 0 CA--C 1.543 1.799 0 N-CA-C 120.276 2.87 . . . . 0.0 120.276 -168.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.256 3.4 t -92.26 -143.32 0.2 Allowed 'General case' 0 CA--C 1.571 1.766 0 CA-C-N 118.718 1.259 . . . . 0.0 112.644 -153.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.4 m -123.96 122.02 36.84 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -140.5 112.84 7.88 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -171.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -141.38 162.18 36.11 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.837 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.07 16.62 80.55 Favored Glycine 0 CA--C 1.543 1.813 0 CA-C-N 109.614 -3.448 . . . . 0.0 120.938 -164.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -82.22 -50.28 9.17 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -48.08 -29.35 3.49 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 117.549 2.425 . . . . 0.0 117.549 158.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -76.98 -27.87 54.9 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 160.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.61 155.29 29.67 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.743 1.217 . . . . 0.0 113.598 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.63 -40.3 66.53 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 -149.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 p -66.44 -52.34 47.42 Favored 'General case' 0 CA--C 1.558 1.281 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 t -103.21 68.46 0.97 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -88.5 67.86 8.64 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 122.51 1.147 . . . . 0.0 111.009 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -102.23 -132.6 0.28 Allowed 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 113.907 -1.497 . . . . 0.0 108.276 -171.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.719 0 O-C-N 118.997 -2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.342 0 N-CA-C 117.174 1.63 . . . . 0.0 117.174 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.8 t -52.1 -50.13 62.24 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 110.093 -3.23 . . . . 0.0 118.386 159.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.1 m -119.84 115.95 24.87 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 168.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.68 128.39 55.22 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 110.909 -2.86 . . . . 0.0 104.1 170.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 61.67 39.73 14.02 Favored 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 116.979 2.215 . . . . 0.0 116.979 -173.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.1 -16.6 1.55 Allowed Glycine 0 CA--C 1.539 1.59 0 N-CA-C 120.435 2.934 . . . . 0.0 120.435 -166.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.482 ' HG ' ' H ' ' A' ' 10' ' ' CYS . 1.9 t -87.54 -154.43 0.25 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-N 119.269 1.534 . . . . 0.0 112.189 -155.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.482 ' H ' ' HG ' ' A' ' 9' ' ' SER . 84.7 m -122.18 118.67 29.18 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.823 -1.173 . . . . 0.0 108.955 174.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -138.44 107.21 5.93 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -170.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -147.46 163.66 35.82 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.925 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.83 11.39 83.95 Favored Glycine 0 CA--C 1.544 1.856 0 CA-C-N 109.569 -3.469 . . . . 0.0 121.162 -164.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.1 t -82.14 -48.69 11.02 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -53.36 -26.11 17.93 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 161.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -77.93 -26.33 48.89 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 159.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.88 158.54 23.95 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.602 1.191 . . . . 0.0 113.602 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -46.28 52.32 Favored 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -147.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.4 p -58.9 -55.53 33.9 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -110.19 70.55 0.73 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 176.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -89.09 67.1 7.96 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.224 -175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -99.48 -131.52 0.23 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.508 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.675 0 O-C-N 119.089 -2.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.294 0 N-CA-C 117.03 1.572 . . . . 0.0 117.03 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.1 t -57.35 -38.69 74.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 109.522 -3.49 . . . . 0.0 119.456 165.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 m -129.73 115.73 17.73 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 103.408 -2.812 . . . . 0.0 103.408 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -105.78 114.68 28.98 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 111.112 -2.767 . . . . 0.0 105.663 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 61.66 50.4 4.46 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -173.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.36 -19.86 1.04 Allowed Glycine 0 N--CA 1.476 1.348 0 N-CA-C 120.313 2.885 . . . . 0.0 120.313 -170.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.278 4.1 t -87.19 -130.43 0.06 Allowed 'General case' 0 CA--C 1.564 1.517 0 CA-C-N 118.977 1.388 . . . . 0.0 111.234 -155.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 t -145.37 143.67 30.25 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 120.792 1.633 . . . . 0.0 111.294 169.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -156.9 102.24 1.99 Allowed 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 112.889 -1.96 . . . . 0.0 106.145 -157.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -149.05 163.45 37.5 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.265 -178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.99 15.98 75.98 Favored Glycine 0 CA--C 1.543 1.841 0 CA-C-N 109.485 -3.507 . . . . 0.0 120.975 -163.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.1 t -85.62 -51.2 6.64 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -56.02 -16.72 5.31 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 157.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -84.98 -23.85 28.54 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 156.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.32 152.67 23.11 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.728 1.211 . . . . 0.0 113.026 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.62 -46.68 68.64 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -151.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.9 p -62.45 -43.76 98.03 Favored 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -112.15 46.96 1.1 Allowed 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 118.463 0.574 . . . . 0.0 111.066 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 -72.58 -55.02 7.55 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -176.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -139.98 -133.83 0.11 Allowed 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.639 0 O-C-N 118.855 -2.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.295 0 N-CA-C 117.031 1.573 . . . . 0.0 117.031 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.9 t -56.79 -40.36 75.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 109.51 -3.495 . . . . 0.0 119.345 165.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 m -127.2 116.17 20.2 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.363 -2.828 . . . . 0.0 103.363 171.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -107.18 114.49 28.58 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 111.217 -2.719 . . . . 0.0 105.55 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 62.2 51.1 3.62 Favored 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 115.813 1.782 . . . . 0.0 115.813 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.62 -20.74 0.99 Allowed Glycine 0 CA--C 1.536 1.403 0 N-CA-C 120.276 2.87 . . . . 0.0 120.276 -170.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.275 3.9 t -88.4 -134.21 0.09 Allowed 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 118.777 1.288 . . . . 0.0 111.525 -154.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 t -136.36 142.68 43.8 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 120.292 1.406 . . . . 0.0 109.957 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -153.71 91.92 1.52 Allowed 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 -164.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -139.39 165.01 28.34 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.089 0.956 . . . . 0.0 111.298 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.88 15.82 74.21 Favored Glycine 0 CA--C 1.543 1.799 0 CA-C-N 109.181 -3.645 . . . . 0.0 121.058 -163.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.0 t -86.19 -53.21 5.18 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.06 -27.76 6.08 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 158.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -76.51 -28.5 56.41 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.442 2.015 . . . . 0.0 116.442 159.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.72 157.99 29.84 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 122.706 1.241 . . . . 0.0 113.895 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -44.91 61.08 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-N 113.803 -1.544 . . . . 0.0 115.044 -152.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -64.09 -54.03 40.36 Favored 'General case' 0 CA--C 1.558 1.251 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t -103.48 67.68 0.92 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -87.59 69.91 9.74 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-O 122.838 1.304 . . . . 0.0 110.76 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -97.13 -130.7 0.19 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.368 -171.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 O-C-N 119.128 -2.233 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.693 0 N-CA-C 116.616 1.407 . . . . 0.0 116.616 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.9 t -39.74 -48.77 2.24 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 119.229 3.048 . . . . 0.0 119.229 160.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 13.7 m -115.41 115.6 26.84 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 104.319 -2.474 . . . . 0.0 104.319 168.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.54 120.6 40.82 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 110.405 -3.089 . . . . 0.0 105.882 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 57.5 45.58 19.34 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -171.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.03 -19.21 1.76 Allowed Glycine 0 CA--C 1.536 1.389 0 N-CA-C 120.626 3.01 . . . . 0.0 120.626 -168.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 3.6 t -86.38 -134.86 0.07 Allowed 'General case' 0 CA--C 1.568 1.659 0 CA-C-N 119.169 1.484 . . . . 0.0 111.931 -157.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.9 m -140.43 129.81 23.91 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 120.871 1.669 . . . . 0.0 109.449 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -145.64 115.0 7.13 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 -170.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -137.79 164.47 28.83 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 113.827 -1.533 . . . . 0.0 110.308 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.61 6.97 88.71 Favored Glycine 0 CA--C 1.545 1.906 0 CA-C-N 109.638 -3.437 . . . . 0.0 121.271 -164.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.1 t -81.61 -46.79 13.89 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 176.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -54.1 -26.4 27.04 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 161.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -76.41 -24.19 54.03 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 116.727 2.121 . . . . 0.0 116.727 159.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.15 164.18 23.52 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.851 1.31 . . . . 0.0 114.53 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.28 -48.34 61.97 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 113.487 -1.688 . . . . 0.0 114.908 -155.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -62.04 -55.56 27.86 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 174.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 80.9 m -101.2 77.39 1.8 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -83.45 62.8 6.97 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-N 113.241 -1.8 . . . . 0.0 113.436 -174.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -89.24 -130.01 0.08 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.947 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.787 0 O-C-N 119.125 -2.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.753 0 N-CA-C 116.591 1.397 . . . . 0.0 116.591 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 t -40.69 -52.79 2.89 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 110.38 -3.1 . . . . 0.0 119.042 158.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 6.3 m -114.27 118.67 34.59 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.91 -2.626 . . . . 0.0 103.91 173.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.36 111.05 23.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 111.078 -2.783 . . . . 0.0 106.906 -175.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 55.84 49.04 16.85 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -171.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.08 -31.8 1.78 Allowed Glycine 0 CA--C 1.54 1.647 0 N-CA-C 119.939 2.735 . . . . 0.0 119.939 -162.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -92.48 147.84 22.58 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 122.71 1.243 . . . . 0.0 112.817 -157.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.1 m -77.14 123.39 26.33 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 113.745 -1.57 . . . . 0.0 112.317 -167.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 -144.92 115.15 7.51 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -165.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -140.27 163.41 32.84 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 114.1 -1.409 . . . . 0.0 110.529 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.46 10.49 85.85 Favored Glycine 0 CA--C 1.544 1.881 0 CA-C-N 109.726 -3.397 . . . . 0.0 121.182 -164.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.2 t -84.5 -46.74 11.32 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -56.05 -16.56 5.18 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 160.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -86.62 -25.78 24.74 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 157.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.19 149.66 25.36 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.635 1.174 . . . . 0.0 113.016 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.89 -53.48 45.96 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.312 1.968 . . . . 0.0 116.312 -147.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.6 p -53.5 -42.22 67.09 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 119.062 2.986 . . . . 0.0 119.062 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 77.8 m -121.55 50.3 1.42 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.591 0.71 . . . . 0.0 110.299 174.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -71.85 -61.26 1.85 Allowed 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.728 173.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -99.03 -139.5 0.31 Allowed 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 123.862 0.865 . . . . 0.0 108.954 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 117.959 -2.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.659 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.5 t -56.81 -47.16 80.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 109.608 -3.451 . . . . 0.0 118.528 162.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 6.6 m -125.2 126.79 45.77 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 171.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -126.99 105.47 8.63 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 112.705 -2.043 . . . . 0.0 106.682 -173.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 66.51 51.96 1.09 Allowed 'General case' 0 CA--C 1.565 1.539 0 CA-C-N 113.463 -1.698 . . . . 0.0 115.189 -168.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.37 -28.89 1.99 Allowed Glycine 0 N--CA 1.478 1.461 0 N-CA-C 119.373 2.509 . . . . 0.0 119.373 -164.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -107.65 135.68 48.68 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -150.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 m -68.69 131.2 44.8 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 114.163 -1.38 . . . . 0.0 112.069 -167.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -151.97 101.32 2.73 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 -158.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -147.37 164.02 34.6 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 114.462 -1.244 . . . . 0.0 111.276 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.17 11.71 83.23 Favored Glycine 0 CA--C 1.544 1.847 0 CA-C-N 109.618 -3.447 . . . . 0.0 121.195 -164.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.2 t -81.14 -48.45 12.11 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -52.48 -29.55 25.44 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 160.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -73.83 -24.68 59.82 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 160.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.11 162.56 24.7 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 122.964 1.364 . . . . 0.0 114.257 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.83 -49.15 49.37 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.477 -1.692 . . . . 0.0 114.836 -153.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 p -59.3 -58.96 6.34 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 91.7 m -102.62 76.52 1.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -84.07 58.37 4.7 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-N 113.618 -1.628 . . . . 0.0 113.963 -173.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -95.5 59.83 2.17 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.933 0.873 . . . . 0.0 112.307 -171.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 O-C-N 117.014 -3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.642 0 N-CA-C 116.614 1.406 . . . . 0.0 116.614 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.3 t -48.59 -49.0 38.62 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 110.177 -3.192 . . . . 0.0 118.568 162.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.8 m -120.48 118.05 29.27 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 102.976 -2.972 . . . . 0.0 102.976 165.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.88 129.3 55.91 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 170.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 62.55 40.32 10.71 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.95 -13.27 1.39 Allowed Glycine 0 CA--C 1.539 1.564 0 N-CA-C 120.749 3.059 . . . . 0.0 120.749 -167.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.257 3.9 t -89.09 -132.79 0.09 Allowed 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 119.351 1.575 . . . . 0.0 111.434 -155.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.3 t -142.13 142.86 32.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 123.087 1.422 . . . . 0.0 109.785 165.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -154.85 105.32 2.57 Favored 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 -166.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -145.62 163.53 34.53 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 114.026 -1.443 . . . . 0.0 110.805 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.34 12.99 82.48 Favored Glycine 0 CA--C 1.543 1.813 0 CA-C-N 109.58 -3.464 . . . . 0.0 121.104 -163.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 t -82.64 -48.43 10.93 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -55.6 -24.2 31.65 Favored 'General case' 0 CA--C 1.574 1.904 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 159.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -77.44 -25.38 50.6 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 116.398 1.999 . . . . 0.0 116.398 158.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.2 151.79 23.83 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.546 1.138 . . . . 0.0 112.968 -177.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -66.13 -49.63 66.8 Favored 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -149.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.4 p -58.81 -45.91 88.85 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -104.67 36.0 2.57 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -72.14 -60.74 2.08 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 123.4 0.68 . . . . 0.0 111.766 167.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -98.61 -134.47 0.26 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 174.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.651 0 O-C-N 118.74 -2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.367 0 N-CA-C 117.169 1.628 . . . . 0.0 117.169 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.49 -43.87 93.2 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 109.918 -3.31 . . . . 0.0 118.912 160.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.2 m -124.92 115.53 20.75 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 172.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.32 120.76 42.7 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 111.164 -2.744 . . . . 0.0 106.662 170.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 59.19 48.21 10.7 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.84 -21.77 1.56 Allowed Glycine 0 CA--C 1.542 1.72 0 N-CA-C 120.224 2.849 . . . . 0.0 120.224 -168.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.42 ' HG ' ' H ' ' A' ' 10' ' ' CYS 0.255 2.9 t -90.87 -148.69 0.21 Allowed 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 118.628 1.214 . . . . 0.0 112.613 -152.433 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.42 ' H ' ' HG ' ' A' ' 9' ' ' SER . 15.3 m -119.1 122.34 41.86 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -138.1 99.1 3.79 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 -169.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -148.58 162.67 39.2 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.33 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.38 15.32 78.6 Favored Glycine 0 CA--C 1.543 1.82 0 CA-C-N 109.521 -3.491 . . . . 0.0 120.989 -164.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.8 t -85.43 -51.16 6.73 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 173.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -55.84 -15.47 3.33 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 157.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -86.13 -24.27 26.28 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 156.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.37 153.63 24.46 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.777 1.231 . . . . 0.0 112.877 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -52.27 44.22 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -152.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 p -62.05 -40.14 94.74 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.0 t -114.64 49.13 1.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.252 0.548 . . . . 0.0 110.473 169.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -71.92 -56.0 6.47 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -119.24 -138.5 0.35 Allowed 'General case' 0 CA--C 1.563 1.447 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 -171.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 118.023 -2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.7 t . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 119.37 3.1 . . . . 0.0 119.37 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.1 m -131.1 119.06 21.4 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.2 tp -109.55 112.34 24.38 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 111.629 -2.532 . . . . 0.0 106.672 168.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 65.18 51.83 1.58 Allowed 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.79 -13.97 3.83 Favored Glycine 0 N--CA 1.481 1.644 0 N-CA-C 120.721 3.048 . . . . 0.0 120.721 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.2 p -78.75 177.52 8.6 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -160.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.1 m -97.34 115.38 27.58 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 160.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 . . . . . 0 CA--C 1.563 1.449 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -168.656 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.777 0 N-CA-C 121.031 3.172 . . . . 0.0 121.031 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 t -83.67 -51.13 7.53 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 175.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -49.04 -28.08 3.77 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 117.494 2.405 . . . . 0.0 117.494 158.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -76.83 -28.12 55.41 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 159.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.19 159.84 27.2 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.774 1.23 . . . . 0.0 113.869 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.5 -44.91 61.61 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 -150.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.8 p -64.26 -54.85 26.82 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.5 t -103.1 68.91 1.0 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 122.521 1.153 . . . . 0.0 110.799 -175.027 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.8 t . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 118.296 2.702 . . . . 0.0 118.296 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 m -120.37 117.32 27.44 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 103.611 -2.737 . . . . 0.0 103.611 171.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.27 128.66 56.01 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 111.165 -2.743 . . . . 0.0 103.826 168.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 62.25 40.8 11.12 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -173.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.17 -16.67 1.56 Allowed Glycine 0 CA--C 1.542 1.776 0 N-CA-C 120.44 2.936 . . . . 0.0 120.44 -167.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -90.62 -155.08 0.37 Allowed 'General case' 0 CA--C 1.571 1.777 0 CA-C-N 119.001 1.4 . . . . 0.0 112.902 -152.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 m -114.74 119.91 38.27 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.173 -0.954 . . . . 0.0 108.443 171.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 . . . . . 0 CA--C 1.564 1.501 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 -177.273 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.876 0 N-CA-C 121.011 3.164 . . . . 0.0 121.011 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -85.31 -49.58 8.05 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -55.48 -18.64 7.52 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 156.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -82.72 -22.97 34.27 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 156.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.17 153.92 20.85 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.774 1.23 . . . . 0.0 112.78 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -69.22 -45.4 69.94 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -151.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.27 -42.91 96.23 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.91 48.43 1.02 Allowed 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 118.39 0.541 . . . . 0.0 110.55 171.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.806 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 120.728 3.603 . . . . 0.0 120.728 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.4 m -120.6 113.87 20.88 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 103.858 -2.645 . . . . 0.0 103.858 169.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.38 127.29 36.15 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 111.672 -2.513 . . . . 0.0 106.592 170.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 55.01 42.19 31.23 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.75 -15.95 2.75 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 121.067 3.187 . . . . 0.0 121.067 -165.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.279 4.7 t -89.08 -122.03 0.05 Allowed 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 119.487 1.644 . . . . 0.0 111.608 -156.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.6 t -150.43 145.79 26.26 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 121.248 1.84 . . . . 0.0 111.402 169.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 . . . . . 0 CA--C 1.564 1.507 0 CA-C-N 113.14 -1.845 . . . . 0.0 106.545 -156.904 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.887 0 N-CA-C 121.088 3.195 . . . . 0.0 121.088 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.1 t -84.81 -48.84 8.97 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 175.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -55.1 -25.06 28.9 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 159.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -76.32 -25.81 55.16 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 158.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.11 152.74 22.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.533 1.133 . . . . 0.0 113.132 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.18 -49.32 67.76 Favored 'General case' 0 CA--C 1.557 1.23 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 -151.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.3 p -60.08 -44.53 94.7 Favored 'General case' 0 CA--C 1.561 1.377 0 N-CA-C 117.802 2.519 . . . . 0.0 117.802 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -106.32 37.81 2.2 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 . . . . . 0 CA--C 1.562 1.43 0 C-N-CA 123.311 0.645 . . . . 0.0 111.613 167.587 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 CA--C 1.54 0.583 0 N-CA-C 118.85 2.907 . . . . 0.0 118.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.8 m -133.9 121.84 22.29 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 104.073 -2.566 . . . . 0.0 104.073 170.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 tp -105.03 115.02 29.56 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 112.77 -2.014 . . . . 0.0 108.092 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 61.05 49.7 5.51 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.56 -10.28 8.91 Favored Glycine 0 N--CA 1.477 1.432 0 N-CA-C 120.987 3.155 . . . . 0.0 120.987 -169.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 19.4 p -81.89 -140.91 0.05 OUTLIER 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 118.548 1.174 . . . . 0.0 113.588 -162.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -151.46 142.51 23.11 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 123.389 1.566 . . . . 0.0 110.255 167.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 . . . . . 0 CA--C 1.566 1.569 0 CA-C-N 112.917 -1.947 . . . . 0.0 106.43 -161.673 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.814 0 N-CA-C 121.095 3.198 . . . . 0.0 121.095 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.2 -51.13 6.83 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -57.36 -17.28 11.77 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 159.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -82.98 -27.11 30.67 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 156.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.77 149.85 26.17 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.708 1.203 . . . . 0.0 112.976 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -39.35 93.89 Favored 'General case' 0 CA--C 1.566 1.592 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -148.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -70.53 -44.12 68.17 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 t -113.8 59.02 0.67 Allowed 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 123.17 1.462 . . . . 0.0 110.356 -176.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-N 112.603 -2.089 . . . . 0.0 111.93 -153.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.6 t . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 118.199 2.666 . . . . 0.0 118.199 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.9 m -127.65 121.62 30.92 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 103.639 -2.726 . . . . 0.0 103.639 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -120.31 117.52 28.03 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 110.705 -2.952 . . . . 0.0 105.345 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 61.01 47.67 7.18 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 113.055 -1.884 . . . . 0.0 115.906 -170.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.21 -23.79 1.42 Allowed Glycine 0 CA--C 1.538 1.518 0 N-CA-C 120.025 2.77 . . . . 0.0 120.025 -169.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 2.9 t -87.87 -149.0 0.16 Allowed 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 118.452 1.126 . . . . 0.0 112.861 -153.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.9 m -121.65 121.8 38.18 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.135 -0.978 . . . . 0.0 108.595 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 . . . . . 0 CA--C 1.564 1.516 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 -177.003 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.801 0 N-CA-C 121.172 3.229 . . . . 0.0 121.172 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 t -85.11 -50.35 7.49 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 173.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -57.67 -14.64 5.87 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 158.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -85.45 -23.85 27.68 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 155.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.16 151.43 25.71 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.739 1.216 . . . . 0.0 112.871 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.23 -46.17 68.01 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -151.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.2 p -63.42 -42.97 98.73 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 118.482 2.771 . . . . 0.0 118.482 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.8 t -112.19 47.92 1.03 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 118.798 0.727 . . . . 0.0 110.607 171.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 ttt-85 . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -176.471 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 m -129.12 123.55 32.45 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 104.218 -2.512 . . . . 0.0 104.218 171.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 tp -111.76 113.78 26.36 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 112.499 -2.137 . . . . 0.0 107.184 169.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 63.86 51.86 2.26 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -177.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.46 -13.73 4.7 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 120.864 3.105 . . . . 0.0 120.864 -171.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.6 p -79.39 -163.31 0.49 Allowed 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -162.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 t -123.97 142.72 50.91 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 122.825 1.298 . . . . 0.0 109.372 163.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 . . . . . 0 CA--C 1.565 1.529 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -167.66 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.782 0 N-CA-C 121.284 3.274 . . . . 0.0 121.284 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -82.92 -49.93 9.12 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -55.75 -25.21 39.59 Favored 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 162.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -76.04 -25.48 55.69 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 158.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.23 153.71 31.67 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 122.5 1.143 . . . . 0.0 113.885 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -71.8 -37.59 70.38 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -155.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.6 p -64.36 -49.98 69.52 Favored 'General case' 0 CA--C 1.558 1.25 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 172.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.5 t -98.89 74.58 2.03 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 172.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 . . . . . 0 CA--C 1.558 1.268 0 CA-C-O 123.054 1.407 . . . . 0.0 113.023 -173.221 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.6 t . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 119.628 3.195 . . . . 0.0 119.628 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.3 m -125.24 118.98 27.21 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 103.922 -2.622 . . . . 0.0 103.922 165.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.05 120.39 40.43 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 169.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 70.58 42.74 0.83 Allowed 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -173.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.62 -4.5 3.97 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 120.748 3.059 . . . . 0.0 120.748 -169.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 p -79.88 -168.46 1.62 Allowed 'General case' 0 CA--C 1.566 1.582 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 -161.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 t -106.72 135.68 47.85 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.641 1.21 . . . . 0.0 108.057 149.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 . . . . . 0 CA--C 1.563 1.459 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -164.08 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.851 0 N-CA-C 121.192 3.237 . . . . 0.0 121.192 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.17 -48.5 10.45 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -51.77 -28.14 14.37 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 161.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -75.67 -26.65 57.84 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 159.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.46 157.26 24.96 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.659 1.184 . . . . 0.0 113.878 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.11 -41.6 58.21 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -151.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.2 p -59.83 -50.08 75.18 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 173.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.4 t -98.39 75.85 2.25 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 . . . . . 0 CA--C 1.561 1.369 0 CA-C-N 114.507 -1.224 . . . . 0.0 113.352 -176.624 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 119.883 3.29 . . . . 0.0 119.883 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 m -114.25 115.02 26.77 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 103.853 -2.647 . . . . 0.0 103.853 168.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.16 126.94 41.74 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 111.52 -2.582 . . . . 0.0 106.194 172.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 56.71 42.84 26.28 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 116.803 2.149 . . . . 0.0 116.803 -175.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.41 -17.24 1.99 Allowed Glycine 0 CA--C 1.539 1.585 0 N-CA-C 120.926 3.131 . . . . 0.0 120.926 -165.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.284 4.9 t -88.87 -122.58 0.05 Allowed 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 119.255 1.527 . . . . 0.0 111.754 -155.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 t -150.68 145.74 26.02 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 121.043 1.747 . . . . 0.0 110.575 171.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 . . . . . 0 CA--C 1.566 1.573 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 -167.892 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.954 0 N-CA-C 121.192 3.237 . . . . 0.0 121.192 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 t -78.25 -47.51 17.77 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 172.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -50.43 -30.92 13.66 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 117.027 2.232 . . . . 0.0 117.027 161.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -75.88 -25.87 56.52 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 161.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.49 153.02 33.87 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.438 1.095 . . . . 0.0 113.617 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.67 -38.72 70.61 Favored 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -152.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 p -63.4 -49.84 72.23 Favored 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.0 t -100.18 73.91 1.73 Allowed 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 . . . . . 0 CA--C 1.561 1.403 0 CA-C-O 122.665 1.222 . . . . 0.0 113.633 -173.251 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.7 t . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 119.165 3.024 . . . . 0.0 119.165 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.1 m -113.41 110.71 20.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 171.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.44 118.16 36.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 110.408 -3.087 . . . . 0.0 105.464 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 60.19 47.3 9.46 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -170.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.96 -19.04 1.29 Allowed Glycine 0 CA--C 1.543 1.799 0 N-CA-C 120.276 2.87 . . . . 0.0 120.276 -168.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.256 3.4 t -92.26 -143.32 0.2 Allowed 'General case' 0 CA--C 1.571 1.766 0 CA-C-N 118.718 1.259 . . . . 0.0 112.644 -153.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.4 m -123.96 122.02 36.84 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 . . . . . 0 CA--C 1.564 1.506 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -171.616 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.813 0 N-CA-C 120.938 3.135 . . . . 0.0 120.938 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -82.22 -50.28 9.17 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -48.08 -29.35 3.49 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 117.549 2.425 . . . . 0.0 117.549 158.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -76.98 -27.87 54.9 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 160.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.61 155.29 29.67 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.743 1.217 . . . . 0.0 113.598 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.63 -40.3 66.53 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 -149.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 p -66.44 -52.34 47.42 Favored 'General case' 0 CA--C 1.558 1.281 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 t -103.21 68.46 0.97 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 . . . . . 0 CA--C 1.559 1.309 0 CA-C-O 122.51 1.147 . . . . 0.0 111.009 -173.775 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 118.386 2.736 . . . . 0.0 118.386 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.1 m -119.84 115.95 24.87 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 168.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.68 128.39 55.22 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 110.909 -2.86 . . . . 0.0 104.1 170.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 61.67 39.73 14.02 Favored 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 116.979 2.215 . . . . 0.0 116.979 -173.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.1 -16.6 1.55 Allowed Glycine 0 CA--C 1.539 1.59 0 N-CA-C 120.435 2.934 . . . . 0.0 120.435 -166.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -87.54 -154.43 0.25 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-N 119.269 1.534 . . . . 0.0 112.189 -155.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.7 m -122.18 118.67 29.18 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.823 -1.173 . . . . 0.0 108.955 174.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 . . . . . 0 CA--C 1.565 1.527 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -170.704 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.856 0 N-CA-C 121.162 3.225 . . . . 0.0 121.162 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.1 t -82.14 -48.69 11.02 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -53.36 -26.11 17.93 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 161.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -77.93 -26.33 48.89 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 159.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.88 158.54 23.95 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.602 1.191 . . . . 0.0 113.602 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -46.28 52.32 Favored 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -147.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.4 p -58.9 -55.53 33.9 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -110.19 70.55 0.73 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 176.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 . . . . . 0 CA--C 1.559 1.319 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.224 -175.329 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 m -129.73 115.73 17.73 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 103.408 -2.812 . . . . 0.0 103.408 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -105.78 114.68 28.98 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 111.112 -2.767 . . . . 0.0 105.663 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 61.66 50.4 4.46 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -173.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.36 -19.86 1.04 Allowed Glycine 0 N--CA 1.476 1.348 0 N-CA-C 120.313 2.885 . . . . 0.0 120.313 -170.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.278 4.1 t -87.19 -130.43 0.06 Allowed 'General case' 0 CA--C 1.564 1.517 0 CA-C-N 118.977 1.388 . . . . 0.0 111.234 -155.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 t -145.37 143.67 30.25 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 120.792 1.633 . . . . 0.0 111.294 169.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 . . . . . 0 CA--C 1.565 1.55 0 CA-C-N 112.889 -1.96 . . . . 0.0 106.145 -157.732 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.841 0 N-CA-C 120.975 3.15 . . . . 0.0 120.975 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.1 t -85.62 -51.2 6.64 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -56.02 -16.72 5.31 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 157.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -84.98 -23.85 28.54 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 156.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.32 152.67 23.11 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.728 1.211 . . . . 0.0 113.026 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.62 -46.68 68.64 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -151.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.9 p -62.45 -43.76 98.03 Favored 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -112.15 46.96 1.1 Allowed 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 118.463 0.574 . . . . 0.0 111.066 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 . . . . . 0 CA--C 1.559 1.292 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -176.059 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 119.345 3.091 . . . . 0.0 119.345 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 m -127.2 116.17 20.2 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.363 -2.828 . . . . 0.0 103.363 171.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -107.18 114.49 28.58 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 111.217 -2.719 . . . . 0.0 105.55 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 62.2 51.1 3.62 Favored 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 115.813 1.782 . . . . 0.0 115.813 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.62 -20.74 0.99 Allowed Glycine 0 CA--C 1.536 1.403 0 N-CA-C 120.276 2.87 . . . . 0.0 120.276 -170.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.275 3.9 t -88.4 -134.21 0.09 Allowed 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 118.777 1.288 . . . . 0.0 111.525 -154.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 t -136.36 142.68 43.8 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 120.292 1.406 . . . . 0.0 109.957 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 . . . . . 0 CA--C 1.565 1.531 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 -164.462 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.799 0 N-CA-C 121.058 3.183 . . . . 0.0 121.058 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.0 t -86.19 -53.21 5.18 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.06 -27.76 6.08 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 158.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -76.51 -28.5 56.41 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.442 2.015 . . . . 0.0 116.442 159.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.72 157.99 29.84 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 122.706 1.241 . . . . 0.0 113.895 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -44.91 61.08 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-N 113.803 -1.544 . . . . 0.0 115.044 -152.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -64.09 -54.03 40.36 Favored 'General case' 0 CA--C 1.558 1.251 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t -103.48 67.68 0.92 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 . . . . . 0 CA--C 1.559 1.301 0 CA-C-O 122.838 1.304 . . . . 0.0 110.76 -175.05 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 119.229 3.048 . . . . 0.0 119.229 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 13.7 m -115.41 115.6 26.84 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 104.319 -2.474 . . . . 0.0 104.319 168.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.54 120.6 40.82 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 110.405 -3.089 . . . . 0.0 105.882 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 57.5 45.58 19.34 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -171.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.03 -19.21 1.76 Allowed Glycine 0 CA--C 1.536 1.389 0 N-CA-C 120.626 3.01 . . . . 0.0 120.626 -168.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 3.6 t -86.38 -134.86 0.07 Allowed 'General case' 0 CA--C 1.568 1.659 0 CA-C-N 119.169 1.484 . . . . 0.0 111.931 -157.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.9 m -140.43 129.81 23.91 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 120.871 1.669 . . . . 0.0 109.449 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 . . . . . 0 CA--C 1.567 1.619 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 -170.916 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.906 0 N-CA-C 121.271 3.268 . . . . 0.0 121.271 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.1 t -81.61 -46.79 13.89 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 176.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -54.1 -26.4 27.04 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 161.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -76.41 -24.19 54.03 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 116.727 2.121 . . . . 0.0 116.727 159.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.15 164.18 23.52 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.851 1.31 . . . . 0.0 114.53 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.28 -48.34 61.97 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 113.487 -1.688 . . . . 0.0 114.908 -155.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -62.04 -55.56 27.86 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 174.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 80.9 m -101.2 77.39 1.8 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 . . . . . 0 CA--C 1.561 1.386 0 CA-C-N 113.241 -1.8 . . . . 0.0 113.436 -174.059 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 119.042 2.978 . . . . 0.0 119.042 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 6.3 m -114.27 118.67 34.59 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.91 -2.626 . . . . 0.0 103.91 173.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.36 111.05 23.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 111.078 -2.783 . . . . 0.0 106.906 -175.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 55.84 49.04 16.85 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -171.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.08 -31.8 1.78 Allowed Glycine 0 CA--C 1.54 1.647 0 N-CA-C 119.939 2.735 . . . . 0.0 119.939 -162.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -92.48 147.84 22.58 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 122.71 1.243 . . . . 0.0 112.817 -157.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.1 m -77.14 123.39 26.33 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 113.745 -1.57 . . . . 0.0 112.317 -167.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 . . . . . 0 CA--C 1.566 1.565 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -165.023 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.881 0 N-CA-C 121.182 3.233 . . . . 0.0 121.182 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.2 t -84.5 -46.74 11.32 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -56.05 -16.56 5.18 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 160.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -86.62 -25.78 24.74 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 157.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.19 149.66 25.36 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.635 1.174 . . . . 0.0 113.016 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.89 -53.48 45.96 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.312 1.968 . . . . 0.0 116.312 -147.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.6 p -53.5 -42.22 67.09 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 119.062 2.986 . . . . 0.0 119.062 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 77.8 m -121.55 50.3 1.42 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.591 0.71 . . . . 0.0 110.299 174.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 . . . . . 0 CA--C 1.56 1.33 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.728 173.907 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 118.528 2.788 . . . . 0.0 118.528 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 6.6 m -125.2 126.79 45.77 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 171.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -126.99 105.47 8.63 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 112.705 -2.043 . . . . 0.0 106.682 -173.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 66.51 51.96 1.09 Allowed 'General case' 0 CA--C 1.565 1.539 0 CA-C-N 113.463 -1.698 . . . . 0.0 115.189 -168.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.37 -28.89 1.99 Allowed Glycine 0 N--CA 1.478 1.461 0 N-CA-C 119.373 2.509 . . . . 0.0 119.373 -164.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -107.65 135.68 48.68 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -150.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 m -68.69 131.2 44.8 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 114.163 -1.38 . . . . 0.0 112.069 -167.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 . . . . . 0 CA--C 1.565 1.532 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 -158.85 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.847 0 N-CA-C 121.195 3.238 . . . . 0.0 121.195 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.2 t -81.14 -48.45 12.11 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -52.48 -29.55 25.44 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 160.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -73.83 -24.68 59.82 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 160.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.11 162.56 24.7 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 122.964 1.364 . . . . 0.0 114.257 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.83 -49.15 49.37 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.477 -1.692 . . . . 0.0 114.836 -153.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 p -59.3 -58.96 6.34 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 91.7 m -102.62 76.52 1.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 . . . . . 0 CA--C 1.562 1.44 0 CA-C-N 113.618 -1.628 . . . . 0.0 113.963 -173.231 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.3 t . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 118.568 2.803 . . . . 0.0 118.568 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.8 m -120.48 118.05 29.27 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 102.976 -2.972 . . . . 0.0 102.976 165.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.88 129.3 55.91 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 170.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 62.55 40.32 10.71 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.95 -13.27 1.39 Allowed Glycine 0 CA--C 1.539 1.564 0 N-CA-C 120.749 3.059 . . . . 0.0 120.749 -167.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.257 3.9 t -89.09 -132.79 0.09 Allowed 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 119.351 1.575 . . . . 0.0 111.434 -155.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.3 t -142.13 142.86 32.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 123.087 1.422 . . . . 0.0 109.785 165.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 CA--C 1.564 1.499 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 -166.688 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.813 0 N-CA-C 121.104 3.201 . . . . 0.0 121.104 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 t -82.64 -48.43 10.93 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -55.6 -24.2 31.65 Favored 'General case' 0 CA--C 1.574 1.904 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 159.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -77.44 -25.38 50.6 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 116.398 1.999 . . . . 0.0 116.398 158.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.2 151.79 23.83 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.546 1.138 . . . . 0.0 112.968 -177.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -66.13 -49.63 66.8 Favored 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -149.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.4 p -58.81 -45.91 88.85 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -104.67 36.0 2.57 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 . . . . . 0 CA--C 1.562 1.42 0 C-N-CA 123.4 0.68 . . . . 0.0 111.766 167.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 118.912 2.93 . . . . 0.0 118.912 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.2 m -124.92 115.53 20.75 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 172.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.32 120.76 42.7 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 111.164 -2.744 . . . . 0.0 106.662 170.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 59.19 48.21 10.7 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.84 -21.77 1.56 Allowed Glycine 0 CA--C 1.542 1.72 0 N-CA-C 120.224 2.849 . . . . 0.0 120.224 -168.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.255 2.9 t -90.87 -148.69 0.21 Allowed 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 118.628 1.214 . . . . 0.0 112.613 -152.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.3 m -119.1 122.34 41.86 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 . . . . . 0 CA--C 1.562 1.433 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 -169.938 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.82 0 N-CA-C 120.989 3.155 . . . . 0.0 120.989 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.8 t -85.43 -51.16 6.73 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 173.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -55.84 -15.47 3.33 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 157.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -86.13 -24.27 26.28 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 156.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.37 153.63 24.46 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.777 1.231 . . . . 0.0 112.877 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -52.27 44.22 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -152.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 p -62.05 -40.14 94.74 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.0 t -114.64 49.13 1.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.252 0.548 . . . . 0.0 110.473 169.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -178.938 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 N-CA-C 117.138 1.615 . . . . 0.0 117.138 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.412 ' HA ' HD23 ' A' ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HYP . . . . . 0.412 HD23 ' HA ' ' A' ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.7 t -61.56 -38.95 89.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 109.909 -3.314 . . . . 0.0 119.37 161.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.1 m -131.1 119.06 21.4 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.2 tp -109.55 112.34 24.38 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 111.629 -2.532 . . . . 0.0 106.672 168.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 65.18 51.83 1.58 Allowed 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.79 -13.97 3.83 Favored Glycine 0 N--CA 1.481 1.644 0 N-CA-C 120.721 3.048 . . . . 0.0 120.721 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.2 p -78.75 177.52 8.6 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -160.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.1 m -97.34 115.38 27.58 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 160.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -130.67 99.44 4.96 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -168.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -149.13 162.98 38.89 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.291 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.92 15.28 79.43 Favored Glycine 0 CA--C 1.542 1.777 0 CA-C-N 109.401 -3.545 . . . . 0.0 121.031 -164.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 t -83.67 -51.13 7.53 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 175.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -49.04 -28.08 3.77 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 117.494 2.405 . . . . 0.0 117.494 158.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -76.83 -28.12 55.41 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 159.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.19 159.84 27.2 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.774 1.23 . . . . 0.0 113.869 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.5 -44.91 61.61 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 -150.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.8 p -64.26 -54.85 26.82 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.5 t -103.1 68.91 1.0 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -88.55 68.69 8.78 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 122.521 1.153 . . . . 0.0 110.799 -175.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -108.34 -138.1 0.37 Allowed 'General case' 0 CA--C 1.563 1.456 0 CA-C-N 113.859 -1.518 . . . . 0.0 108.591 -171.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.554 0 O-C-N 118.124 -2.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.359 0 N-CA-C 117.174 1.63 . . . . 0.0 117.174 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.8 t -51.94 -51.48 56.72 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 110.059 -3.246 . . . . 0.0 118.296 158.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 m -120.37 117.32 27.44 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 103.611 -2.737 . . . . 0.0 103.611 171.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.27 128.66 56.01 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 111.165 -2.743 . . . . 0.0 103.826 168.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 62.25 40.8 11.12 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -173.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.17 -16.67 1.56 Allowed Glycine 0 CA--C 1.542 1.776 0 N-CA-C 120.44 2.936 . . . . 0.0 120.44 -167.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -90.62 -155.08 0.37 Allowed 'General case' 0 CA--C 1.571 1.777 0 CA-C-N 119.001 1.4 . . . . 0.0 112.902 -152.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 m -114.74 119.91 38.27 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.173 -0.954 . . . . 0.0 108.443 171.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -136.67 105.64 5.93 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -146.3 162.68 37.61 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 114.074 -1.421 . . . . 0.0 111.006 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.67 15.39 79.61 Favored Glycine 0 CA--C 1.544 1.876 0 CA-C-N 109.613 -3.449 . . . . 0.0 121.011 -164.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -85.31 -49.58 8.05 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -55.48 -18.64 7.52 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 156.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -82.72 -22.97 34.27 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 156.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.17 153.92 20.85 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.774 1.23 . . . . 0.0 112.78 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -69.22 -45.4 69.94 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -151.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.27 -42.91 96.23 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.91 48.43 1.02 Allowed 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 118.39 0.541 . . . . 0.0 110.55 171.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -71.17 -53.81 13.2 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -94.52 75.05 3.8 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 121.666 0.746 . . . . 0.0 109.557 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 O-C-N 117.056 -3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.34 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.422 ' HA ' HD23 ' A' ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HYP . . . . . 0.422 HD23 ' HA ' ' A' ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.2 t -44.39 -41.02 5.85 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 120.728 3.603 . . . . 0.0 120.728 158.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.4 m -120.6 113.87 20.88 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 103.858 -2.645 . . . . 0.0 103.858 169.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.38 127.29 36.15 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 111.672 -2.513 . . . . 0.0 106.592 170.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 55.01 42.19 31.23 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.75 -15.95 2.75 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 121.067 3.187 . . . . 0.0 121.067 -165.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.279 4.7 t -89.08 -122.03 0.05 Allowed 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 119.487 1.644 . . . . 0.0 111.608 -156.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.6 t -150.43 145.79 26.26 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 121.248 1.84 . . . . 0.0 111.402 169.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -160.55 103.18 1.38 Allowed 'General case' 0 CA--C 1.564 1.507 0 CA-C-N 113.14 -1.845 . . . . 0.0 106.545 -156.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -146.69 163.81 34.71 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 114.205 -1.361 . . . . 0.0 111.212 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.96 12.61 83.21 Favored Glycine 0 CA--C 1.544 1.887 0 CA-C-N 109.683 -3.417 . . . . 0.0 121.088 -164.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.1 t -84.81 -48.84 8.97 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 175.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -55.1 -25.06 28.9 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 159.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -76.32 -25.81 55.16 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 158.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.11 152.74 22.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.533 1.133 . . . . 0.0 113.132 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.18 -49.32 67.76 Favored 'General case' 0 CA--C 1.557 1.23 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 -151.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.3 p -60.08 -44.53 94.7 Favored 'General case' 0 CA--C 1.561 1.377 0 N-CA-C 117.802 2.519 . . . . 0.0 117.802 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -106.32 37.81 2.2 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -72.49 -61.49 1.78 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.311 0.645 . . . . 0.0 111.613 167.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -98.99 -134.49 0.27 Allowed 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.649 0 O-C-N 118.761 -2.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.777 0 N-CA-C 116.593 1.397 . . . . 0.0 116.593 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t -64.75 -39.12 93.1 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 109.738 -3.392 . . . . 0.0 118.85 165.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.8 m -133.9 121.84 22.29 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 104.073 -2.566 . . . . 0.0 104.073 170.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 tp -105.03 115.02 29.56 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 112.77 -2.014 . . . . 0.0 108.092 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 61.05 49.7 5.51 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.56 -10.28 8.91 Favored Glycine 0 N--CA 1.477 1.432 0 N-CA-C 120.987 3.155 . . . . 0.0 120.987 -169.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 19.4 p -81.89 -140.91 0.05 OUTLIER 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 118.548 1.174 . . . . 0.0 113.588 -162.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -151.46 142.51 23.11 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 123.389 1.566 . . . . 0.0 110.255 167.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -154.56 103.19 2.45 Favored 'General case' 0 CA--C 1.566 1.569 0 CA-C-N 112.917 -1.947 . . . . 0.0 106.43 -161.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -150.36 163.96 37.04 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.19 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.14 12.39 80.96 Favored Glycine 0 CA--C 1.543 1.814 0 CA-C-N 109.53 -3.486 . . . . 0.0 121.095 -163.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.2 -51.13 6.83 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -57.36 -17.28 11.77 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 159.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -82.98 -27.11 30.67 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 156.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.77 149.85 26.17 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.708 1.203 . . . . 0.0 112.976 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -39.35 93.89 Favored 'General case' 0 CA--C 1.566 1.592 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -148.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -70.53 -44.12 68.17 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 t -113.8 59.02 0.67 Allowed 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 123.17 1.462 . . . . 0.0 110.356 -176.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.41 -63.01 1.44 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 112.603 -2.089 . . . . 0.0 111.93 -153.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -96.67 -138.81 0.27 Allowed 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.776 0.831 . . . . 0.0 109.237 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 O-C-N 117.933 -2.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.366 0 N-CA-C 117.075 1.59 . . . . 0.0 117.075 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.431 ' HA ' HD23 ' A' ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HYP . . . . . 0.431 HD23 ' HA ' ' A' ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.6 t -59.27 -46.43 88.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 109.831 -3.349 . . . . 0.0 118.199 161.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.9 m -127.65 121.62 30.92 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 103.639 -2.726 . . . . 0.0 103.639 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -120.31 117.52 28.03 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 110.705 -2.952 . . . . 0.0 105.345 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 61.01 47.67 7.18 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 113.055 -1.884 . . . . 0.0 115.906 -170.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.21 -23.79 1.42 Allowed Glycine 0 CA--C 1.538 1.518 0 N-CA-C 120.025 2.77 . . . . 0.0 120.025 -169.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 2.9 t -87.87 -149.0 0.16 Allowed 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 118.452 1.126 . . . . 0.0 112.861 -153.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.9 m -121.65 121.8 38.18 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.135 -0.978 . . . . 0.0 108.595 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -135.0 103.13 5.45 Favored 'General case' 0 CA--C 1.564 1.516 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -147.87 163.18 37.56 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.029 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.78 13.29 80.03 Favored Glycine 0 CA--C 1.543 1.801 0 CA-C-N 109.419 -3.537 . . . . 0.0 121.172 -163.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 t -85.11 -50.35 7.49 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 173.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -57.67 -14.64 5.87 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 158.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -85.45 -23.85 27.68 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 155.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.16 151.43 25.71 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.739 1.216 . . . . 0.0 112.871 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.23 -46.17 68.01 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -151.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.2 p -63.42 -42.97 98.73 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 118.482 2.771 . . . . 0.0 118.482 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.8 t -112.19 47.92 1.03 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 118.798 0.727 . . . . 0.0 110.607 171.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 ttt-85 -71.58 -54.52 10.2 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -99.08 75.69 2.05 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 121.615 0.721 . . . . 0.0 109.376 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 O-C-N 117.066 -3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.836 0 N-CA-C 116.541 1.376 . . . . 0.0 116.541 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.08 -40.18 86.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 109.724 -3.398 . . . . 0.0 118.701 164.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 m -129.12 123.55 32.45 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 104.218 -2.512 . . . . 0.0 104.218 171.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 tp -111.76 113.78 26.36 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 112.499 -2.137 . . . . 0.0 107.184 169.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 63.86 51.86 2.26 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -177.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.46 -13.73 4.7 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 120.864 3.105 . . . . 0.0 120.864 -171.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.6 p -79.39 -163.31 0.49 Allowed 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -162.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 t -123.97 142.72 50.91 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 122.825 1.298 . . . . 0.0 109.372 163.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -149.94 105.89 3.45 Favored 'General case' 0 CA--C 1.565 1.529 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -167.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -149.4 163.09 38.71 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.86 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.83 5.82 89.01 Favored Glycine 0 CA--C 1.543 1.782 0 CA-C-N 109.486 -3.506 . . . . 0.0 121.284 -164.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -82.92 -49.93 9.12 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -55.75 -25.21 39.59 Favored 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 162.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -76.04 -25.48 55.69 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 158.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.23 153.71 31.67 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 122.5 1.143 . . . . 0.0 113.885 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -71.8 -37.59 70.38 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -155.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.6 p -64.36 -49.98 69.52 Favored 'General case' 0 CA--C 1.558 1.25 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 172.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.5 t -98.89 74.58 2.03 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 172.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -83.46 67.37 9.32 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 123.054 1.407 . . . . 0.0 113.023 -173.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -96.27 67.09 2.51 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.057 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 116.68 -3.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.347 0 N-CA-C 117.143 1.617 . . . . 0.0 117.143 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.402 ' HA ' HD23 ' A' ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HYP . . . . . 0.402 HD23 ' HA ' ' A' ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.6 t -55.22 -41.72 72.42 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 110.141 -3.209 . . . . 0.0 119.628 161.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.3 m -125.24 118.98 27.21 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 103.922 -2.622 . . . . 0.0 103.922 165.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.05 120.39 40.43 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 169.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 70.58 42.74 0.83 Allowed 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -173.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.62 -4.5 3.97 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 120.748 3.059 . . . . 0.0 120.748 -169.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 p -79.88 -168.46 1.62 Allowed 'General case' 0 CA--C 1.566 1.582 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 -161.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 t -106.72 135.68 47.85 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.641 1.21 . . . . 0.0 108.057 149.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -148.39 99.43 3.03 Favored 'General case' 0 CA--C 1.563 1.459 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -164.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -148.64 163.31 37.66 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 114.126 -1.397 . . . . 0.0 111.157 -176.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.03 11.73 84.14 Favored Glycine 0 CA--C 1.544 1.851 0 CA-C-N 109.539 -3.482 . . . . 0.0 121.192 -164.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.17 -48.5 10.45 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -51.77 -28.14 14.37 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 161.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -75.67 -26.65 57.84 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 159.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.46 157.26 24.96 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.659 1.184 . . . . 0.0 113.878 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.11 -41.6 58.21 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -151.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.2 p -59.83 -50.08 75.18 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 173.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.4 t -98.39 75.85 2.25 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -81.49 65.04 6.46 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-N 114.507 -1.224 . . . . 0.0 113.352 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -97.38 65.69 1.97 Allowed 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.737 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 117.102 -3.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.372 0 N-CA-C 116.973 1.549 . . . . 0.0 116.973 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.8 t -38.51 -48.29 1.38 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 119.883 3.29 . . . . 0.0 119.883 158.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 m -114.25 115.02 26.77 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 103.853 -2.647 . . . . 0.0 103.853 168.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.16 126.94 41.74 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 111.52 -2.582 . . . . 0.0 106.194 172.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 56.71 42.84 26.28 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 116.803 2.149 . . . . 0.0 116.803 -175.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.41 -17.24 1.99 Allowed Glycine 0 CA--C 1.539 1.585 0 N-CA-C 120.926 3.131 . . . . 0.0 120.926 -165.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.284 4.9 t -88.87 -122.58 0.05 Allowed 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 119.255 1.527 . . . . 0.0 111.754 -155.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 t -150.68 145.74 26.02 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 121.043 1.747 . . . . 0.0 110.575 171.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -158.79 107.84 1.94 Allowed 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 -167.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -93.98 166.08 12.33 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.515 161.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.1 10.27 85.09 Favored Glycine 0 CA--C 1.545 1.954 0 CA-C-N 109.653 -3.43 . . . . 0.0 121.192 -163.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 t -78.25 -47.51 17.77 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 172.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -50.43 -30.92 13.66 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 117.027 2.232 . . . . 0.0 117.027 161.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -75.88 -25.87 56.52 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 161.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.49 153.02 33.87 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.438 1.095 . . . . 0.0 113.617 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.67 -38.72 70.61 Favored 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -152.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 p -63.4 -49.84 72.23 Favored 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.0 t -100.18 73.91 1.73 Allowed 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -83.43 63.25 7.21 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 122.665 1.222 . . . . 0.0 113.633 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -92.72 63.81 4.0 Favored 'General case' 0 CA--C 1.567 1.611 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.335 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 O-C-N 117.022 -3.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.729 0 N-CA-C 116.632 1.413 . . . . 0.0 116.632 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.7 t -41.01 -50.2 3.32 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 119.165 3.024 . . . . 0.0 119.165 159.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.1 m -113.41 110.71 20.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 171.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.44 118.16 36.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 110.408 -3.087 . . . . 0.0 105.464 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 60.19 47.3 9.46 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -170.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.96 -19.04 1.29 Allowed Glycine 0 CA--C 1.543 1.799 0 N-CA-C 120.276 2.87 . . . . 0.0 120.276 -168.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.256 3.4 t -92.26 -143.32 0.2 Allowed 'General case' 0 CA--C 1.571 1.766 0 CA-C-N 118.718 1.259 . . . . 0.0 112.644 -153.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.4 m -123.96 122.02 36.84 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -140.5 112.84 7.88 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -171.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -141.38 162.18 36.11 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.837 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.07 16.62 80.55 Favored Glycine 0 CA--C 1.543 1.813 0 CA-C-N 109.614 -3.448 . . . . 0.0 120.938 -164.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -82.22 -50.28 9.17 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -48.08 -29.35 3.49 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 117.549 2.425 . . . . 0.0 117.549 158.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -76.98 -27.87 54.9 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 160.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.61 155.29 29.67 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.743 1.217 . . . . 0.0 113.598 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.63 -40.3 66.53 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 -149.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 p -66.44 -52.34 47.42 Favored 'General case' 0 CA--C 1.558 1.281 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 t -103.21 68.46 0.97 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -88.5 67.86 8.64 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 122.51 1.147 . . . . 0.0 111.009 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -102.23 -132.6 0.28 Allowed 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 113.907 -1.497 . . . . 0.0 108.276 -171.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.719 0 O-C-N 118.997 -2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.342 0 N-CA-C 117.174 1.63 . . . . 0.0 117.174 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.402 ' HA ' HD23 ' A' ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HYP . . . . . 0.402 HD23 ' HA ' ' A' ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.8 t -52.1 -50.13 62.24 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 110.093 -3.23 . . . . 0.0 118.386 159.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.1 m -119.84 115.95 24.87 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 168.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.68 128.39 55.22 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 110.909 -2.86 . . . . 0.0 104.1 170.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 61.67 39.73 14.02 Favored 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 116.979 2.215 . . . . 0.0 116.979 -173.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.1 -16.6 1.55 Allowed Glycine 0 CA--C 1.539 1.59 0 N-CA-C 120.435 2.934 . . . . 0.0 120.435 -166.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -87.54 -154.43 0.25 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-N 119.269 1.534 . . . . 0.0 112.189 -155.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.7 m -122.18 118.67 29.18 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.823 -1.173 . . . . 0.0 108.955 174.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -138.44 107.21 5.93 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -170.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -147.46 163.66 35.82 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.925 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.83 11.39 83.95 Favored Glycine 0 CA--C 1.544 1.856 0 CA-C-N 109.569 -3.469 . . . . 0.0 121.162 -164.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.1 t -82.14 -48.69 11.02 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -53.36 -26.11 17.93 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 161.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -77.93 -26.33 48.89 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 159.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.88 158.54 23.95 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.602 1.191 . . . . 0.0 113.602 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -46.28 52.32 Favored 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -147.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.4 p -58.9 -55.53 33.9 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -110.19 70.55 0.73 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 176.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -89.09 67.1 7.96 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.224 -175.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -99.48 -131.52 0.23 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.508 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.675 0 O-C-N 119.089 -2.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.294 0 N-CA-C 117.03 1.572 . . . . 0.0 117.03 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.1 t -57.35 -38.69 74.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 109.522 -3.49 . . . . 0.0 119.456 165.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 m -129.73 115.73 17.73 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 103.408 -2.812 . . . . 0.0 103.408 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -105.78 114.68 28.98 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 111.112 -2.767 . . . . 0.0 105.663 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 61.66 50.4 4.46 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -173.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.36 -19.86 1.04 Allowed Glycine 0 N--CA 1.476 1.348 0 N-CA-C 120.313 2.885 . . . . 0.0 120.313 -170.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.278 4.1 t -87.19 -130.43 0.06 Allowed 'General case' 0 CA--C 1.564 1.517 0 CA-C-N 118.977 1.388 . . . . 0.0 111.234 -155.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 t -145.37 143.67 30.25 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 120.792 1.633 . . . . 0.0 111.294 169.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -156.9 102.24 1.99 Allowed 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 112.889 -1.96 . . . . 0.0 106.145 -157.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -149.05 163.45 37.5 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.265 -178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.99 15.98 75.98 Favored Glycine 0 CA--C 1.543 1.841 0 CA-C-N 109.485 -3.507 . . . . 0.0 120.975 -163.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.1 t -85.62 -51.2 6.64 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -56.02 -16.72 5.31 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 157.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -84.98 -23.85 28.54 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 156.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.32 152.67 23.11 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.728 1.211 . . . . 0.0 113.026 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.62 -46.68 68.64 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -151.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.9 p -62.45 -43.76 98.03 Favored 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -112.15 46.96 1.1 Allowed 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 118.463 0.574 . . . . 0.0 111.066 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 -72.58 -55.02 7.55 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -176.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -139.98 -133.83 0.11 Allowed 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.639 0 O-C-N 118.855 -2.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.295 0 N-CA-C 117.031 1.573 . . . . 0.0 117.031 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.9 t -56.79 -40.36 75.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 109.51 -3.495 . . . . 0.0 119.345 165.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 m -127.2 116.17 20.2 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.363 -2.828 . . . . 0.0 103.363 171.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -107.18 114.49 28.58 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 111.217 -2.719 . . . . 0.0 105.55 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 62.2 51.1 3.62 Favored 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 115.813 1.782 . . . . 0.0 115.813 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.62 -20.74 0.99 Allowed Glycine 0 CA--C 1.536 1.403 0 N-CA-C 120.276 2.87 . . . . 0.0 120.276 -170.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.275 3.9 t -88.4 -134.21 0.09 Allowed 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 118.777 1.288 . . . . 0.0 111.525 -154.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 t -136.36 142.68 43.8 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 120.292 1.406 . . . . 0.0 109.957 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -153.71 91.92 1.52 Allowed 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 -164.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -139.39 165.01 28.34 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.089 0.956 . . . . 0.0 111.298 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.88 15.82 74.21 Favored Glycine 0 CA--C 1.543 1.799 0 CA-C-N 109.181 -3.645 . . . . 0.0 121.058 -163.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.0 t -86.19 -53.21 5.18 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.06 -27.76 6.08 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 158.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -76.51 -28.5 56.41 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.442 2.015 . . . . 0.0 116.442 159.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.72 157.99 29.84 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 122.706 1.241 . . . . 0.0 113.895 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -44.91 61.08 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-N 113.803 -1.544 . . . . 0.0 115.044 -152.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -64.09 -54.03 40.36 Favored 'General case' 0 CA--C 1.558 1.251 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t -103.48 67.68 0.92 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -87.59 69.91 9.74 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-O 122.838 1.304 . . . . 0.0 110.76 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -97.13 -130.7 0.19 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.368 -171.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 O-C-N 119.128 -2.233 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.693 0 N-CA-C 116.616 1.407 . . . . 0.0 116.616 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.9 t -39.74 -48.77 2.24 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 119.229 3.048 . . . . 0.0 119.229 160.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 13.7 m -115.41 115.6 26.84 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 104.319 -2.474 . . . . 0.0 104.319 168.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.54 120.6 40.82 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 110.405 -3.089 . . . . 0.0 105.882 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 57.5 45.58 19.34 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -171.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.03 -19.21 1.76 Allowed Glycine 0 CA--C 1.536 1.389 0 N-CA-C 120.626 3.01 . . . . 0.0 120.626 -168.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 3.6 t -86.38 -134.86 0.07 Allowed 'General case' 0 CA--C 1.568 1.659 0 CA-C-N 119.169 1.484 . . . . 0.0 111.931 -157.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.9 m -140.43 129.81 23.91 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 120.871 1.669 . . . . 0.0 109.449 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -145.64 115.0 7.13 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 -170.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -137.79 164.47 28.83 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 113.827 -1.533 . . . . 0.0 110.308 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.61 6.97 88.71 Favored Glycine 0 CA--C 1.545 1.906 0 CA-C-N 109.638 -3.437 . . . . 0.0 121.271 -164.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.1 t -81.61 -46.79 13.89 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 176.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -54.1 -26.4 27.04 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 161.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -76.41 -24.19 54.03 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 116.727 2.121 . . . . 0.0 116.727 159.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.15 164.18 23.52 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.851 1.31 . . . . 0.0 114.53 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.28 -48.34 61.97 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 113.487 -1.688 . . . . 0.0 114.908 -155.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -62.04 -55.56 27.86 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 174.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 80.9 m -101.2 77.39 1.8 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -83.45 62.8 6.97 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-N 113.241 -1.8 . . . . 0.0 113.436 -174.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -89.24 -130.01 0.08 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.947 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.787 0 O-C-N 119.125 -2.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.753 0 N-CA-C 116.591 1.397 . . . . 0.0 116.591 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 t -40.69 -52.79 2.89 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 110.38 -3.1 . . . . 0.0 119.042 158.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 6.3 m -114.27 118.67 34.59 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.91 -2.626 . . . . 0.0 103.91 173.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.36 111.05 23.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 111.078 -2.783 . . . . 0.0 106.906 -175.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 55.84 49.04 16.85 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -171.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.08 -31.8 1.78 Allowed Glycine 0 CA--C 1.54 1.647 0 N-CA-C 119.939 2.735 . . . . 0.0 119.939 -162.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -92.48 147.84 22.58 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 122.71 1.243 . . . . 0.0 112.817 -157.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.1 m -77.14 123.39 26.33 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 113.745 -1.57 . . . . 0.0 112.317 -167.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 -144.92 115.15 7.51 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -165.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -140.27 163.41 32.84 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 114.1 -1.409 . . . . 0.0 110.529 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.46 10.49 85.85 Favored Glycine 0 CA--C 1.544 1.881 0 CA-C-N 109.726 -3.397 . . . . 0.0 121.182 -164.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.2 t -84.5 -46.74 11.32 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -56.05 -16.56 5.18 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 160.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -86.62 -25.78 24.74 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 157.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.19 149.66 25.36 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.635 1.174 . . . . 0.0 113.016 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.89 -53.48 45.96 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.312 1.968 . . . . 0.0 116.312 -147.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.6 p -53.5 -42.22 67.09 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 119.062 2.986 . . . . 0.0 119.062 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 77.8 m -121.55 50.3 1.42 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.591 0.71 . . . . 0.0 110.299 174.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -71.85 -61.26 1.85 Allowed 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.728 173.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -99.03 -139.5 0.31 Allowed 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 123.862 0.865 . . . . 0.0 108.954 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 117.959 -2.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.659 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.5 t -56.81 -47.16 80.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 109.608 -3.451 . . . . 0.0 118.528 162.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 6.6 m -125.2 126.79 45.77 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 171.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -126.99 105.47 8.63 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 112.705 -2.043 . . . . 0.0 106.682 -173.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 66.51 51.96 1.09 Allowed 'General case' 0 CA--C 1.565 1.539 0 CA-C-N 113.463 -1.698 . . . . 0.0 115.189 -168.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.37 -28.89 1.99 Allowed Glycine 0 N--CA 1.478 1.461 0 N-CA-C 119.373 2.509 . . . . 0.0 119.373 -164.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -107.65 135.68 48.68 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -150.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 m -68.69 131.2 44.8 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 114.163 -1.38 . . . . 0.0 112.069 -167.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -151.97 101.32 2.73 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 -158.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -147.37 164.02 34.6 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 114.462 -1.244 . . . . 0.0 111.276 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.17 11.71 83.23 Favored Glycine 0 CA--C 1.544 1.847 0 CA-C-N 109.618 -3.447 . . . . 0.0 121.195 -164.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.2 t -81.14 -48.45 12.11 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -52.48 -29.55 25.44 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 160.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -73.83 -24.68 59.82 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 160.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.11 162.56 24.7 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 122.964 1.364 . . . . 0.0 114.257 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.83 -49.15 49.37 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.477 -1.692 . . . . 0.0 114.836 -153.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 p -59.3 -58.96 6.34 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 91.7 m -102.62 76.52 1.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -84.07 58.37 4.7 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-N 113.618 -1.628 . . . . 0.0 113.963 -173.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -95.5 59.83 2.17 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.933 0.873 . . . . 0.0 112.307 -171.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 O-C-N 117.014 -3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.642 0 N-CA-C 116.614 1.406 . . . . 0.0 116.614 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.3 t -48.59 -49.0 38.62 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 110.177 -3.192 . . . . 0.0 118.568 162.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.8 m -120.48 118.05 29.27 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 102.976 -2.972 . . . . 0.0 102.976 165.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.88 129.3 55.91 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 170.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 62.55 40.32 10.71 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.95 -13.27 1.39 Allowed Glycine 0 CA--C 1.539 1.564 0 N-CA-C 120.749 3.059 . . . . 0.0 120.749 -167.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.257 3.9 t -89.09 -132.79 0.09 Allowed 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 119.351 1.575 . . . . 0.0 111.434 -155.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.3 t -142.13 142.86 32.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 123.087 1.422 . . . . 0.0 109.785 165.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -154.85 105.32 2.57 Favored 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 -166.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -145.62 163.53 34.53 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 114.026 -1.443 . . . . 0.0 110.805 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.34 12.99 82.48 Favored Glycine 0 CA--C 1.543 1.813 0 CA-C-N 109.58 -3.464 . . . . 0.0 121.104 -163.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 t -82.64 -48.43 10.93 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -55.6 -24.2 31.65 Favored 'General case' 0 CA--C 1.574 1.904 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 159.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -77.44 -25.38 50.6 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 116.398 1.999 . . . . 0.0 116.398 158.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.2 151.79 23.83 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.546 1.138 . . . . 0.0 112.968 -177.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -66.13 -49.63 66.8 Favored 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -149.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.4 p -58.81 -45.91 88.85 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -104.67 36.0 2.57 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -72.14 -60.74 2.08 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 123.4 0.68 . . . . 0.0 111.766 167.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -98.61 -134.47 0.26 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 174.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.651 0 O-C-N 118.74 -2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.367 0 N-CA-C 117.169 1.628 . . . . 0.0 117.169 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.414 ' HA ' HD23 ' A' ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HYP . . . . . 0.414 HD23 ' HA ' ' A' ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.49 -43.87 93.2 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 109.918 -3.31 . . . . 0.0 118.912 160.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.2 m -124.92 115.53 20.75 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 172.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.32 120.76 42.7 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 111.164 -2.744 . . . . 0.0 106.662 170.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 59.19 48.21 10.7 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.84 -21.77 1.56 Allowed Glycine 0 CA--C 1.542 1.72 0 N-CA-C 120.224 2.849 . . . . 0.0 120.224 -168.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.255 2.9 t -90.87 -148.69 0.21 Allowed 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 118.628 1.214 . . . . 0.0 112.613 -152.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.3 m -119.1 122.34 41.86 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -138.1 99.1 3.79 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 -169.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -148.58 162.67 39.2 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.33 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.38 15.32 78.6 Favored Glycine 0 CA--C 1.543 1.82 0 CA-C-N 109.521 -3.491 . . . . 0.0 120.989 -164.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.8 t -85.43 -51.16 6.73 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 173.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -55.84 -15.47 3.33 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 157.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -86.13 -24.27 26.28 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 156.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.37 153.63 24.46 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.777 1.231 . . . . 0.0 112.877 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -52.27 44.22 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -152.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 p -62.05 -40.14 94.74 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.0 t -114.64 49.13 1.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.252 0.548 . . . . 0.0 110.473 169.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -71.92 -56.0 6.47 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -119.24 -138.5 0.35 Allowed 'General case' 0 CA--C 1.563 1.447 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 -171.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 118.023 -2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.7 t . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 119.37 3.1 . . . . 0.0 119.37 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.1 m -131.1 119.06 21.4 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.2 tp -109.55 112.34 24.38 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 111.629 -2.532 . . . . 0.0 106.672 168.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 65.18 51.83 1.58 Allowed 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.79 -13.97 3.83 Favored Glycine 0 N--CA 1.481 1.644 0 N-CA-C 120.721 3.048 . . . . 0.0 120.721 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.2 p -78.75 177.52 8.6 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -160.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.1 m -97.34 115.38 27.58 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 160.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 . . . . . 0 CA--C 1.563 1.449 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -168.656 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.777 0 N-CA-C 121.031 3.172 . . . . 0.0 121.031 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 t -83.67 -51.13 7.53 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 175.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -49.04 -28.08 3.77 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 117.494 2.405 . . . . 0.0 117.494 158.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -76.83 -28.12 55.41 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 159.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.19 159.84 27.2 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.774 1.23 . . . . 0.0 113.869 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.5 -44.91 61.61 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 -150.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.8 p -64.26 -54.85 26.82 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.5 t -103.1 68.91 1.0 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 122.521 1.153 . . . . 0.0 110.799 -175.027 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.8 t . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 118.296 2.702 . . . . 0.0 118.296 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 m -120.37 117.32 27.44 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 103.611 -2.737 . . . . 0.0 103.611 171.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.27 128.66 56.01 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 111.165 -2.743 . . . . 0.0 103.826 168.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 62.25 40.8 11.12 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -173.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.17 -16.67 1.56 Allowed Glycine 0 CA--C 1.542 1.776 0 N-CA-C 120.44 2.936 . . . . 0.0 120.44 -167.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -90.62 -155.08 0.37 Allowed 'General case' 0 CA--C 1.571 1.777 0 CA-C-N 119.001 1.4 . . . . 0.0 112.902 -152.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 m -114.74 119.91 38.27 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.173 -0.954 . . . . 0.0 108.443 171.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 . . . . . 0 CA--C 1.564 1.501 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 -177.273 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.876 0 N-CA-C 121.011 3.164 . . . . 0.0 121.011 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -85.31 -49.58 8.05 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -55.48 -18.64 7.52 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 156.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -82.72 -22.97 34.27 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 156.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.17 153.92 20.85 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.774 1.23 . . . . 0.0 112.78 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -69.22 -45.4 69.94 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -151.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.27 -42.91 96.23 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.91 48.43 1.02 Allowed 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 118.39 0.541 . . . . 0.0 110.55 171.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.806 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 120.728 3.603 . . . . 0.0 120.728 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.4 m -120.6 113.87 20.88 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 103.858 -2.645 . . . . 0.0 103.858 169.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.38 127.29 36.15 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 111.672 -2.513 . . . . 0.0 106.592 170.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 55.01 42.19 31.23 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.75 -15.95 2.75 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 121.067 3.187 . . . . 0.0 121.067 -165.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.279 4.7 t -89.08 -122.03 0.05 Allowed 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 119.487 1.644 . . . . 0.0 111.608 -156.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.6 t -150.43 145.79 26.26 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 121.248 1.84 . . . . 0.0 111.402 169.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 . . . . . 0 CA--C 1.564 1.507 0 CA-C-N 113.14 -1.845 . . . . 0.0 106.545 -156.904 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.887 0 N-CA-C 121.088 3.195 . . . . 0.0 121.088 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.1 t -84.81 -48.84 8.97 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 175.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -55.1 -25.06 28.9 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 159.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -76.32 -25.81 55.16 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 158.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.11 152.74 22.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.533 1.133 . . . . 0.0 113.132 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.18 -49.32 67.76 Favored 'General case' 0 CA--C 1.557 1.23 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 -151.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.3 p -60.08 -44.53 94.7 Favored 'General case' 0 CA--C 1.561 1.377 0 N-CA-C 117.802 2.519 . . . . 0.0 117.802 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -106.32 37.81 2.2 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 . . . . . 0 CA--C 1.562 1.43 0 C-N-CA 123.311 0.645 . . . . 0.0 111.613 167.587 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 CA--C 1.54 0.583 0 N-CA-C 118.85 2.907 . . . . 0.0 118.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.8 m -133.9 121.84 22.29 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 104.073 -2.566 . . . . 0.0 104.073 170.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 tp -105.03 115.02 29.56 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 112.77 -2.014 . . . . 0.0 108.092 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 61.05 49.7 5.51 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.56 -10.28 8.91 Favored Glycine 0 N--CA 1.477 1.432 0 N-CA-C 120.987 3.155 . . . . 0.0 120.987 -169.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 19.4 p -81.89 -140.91 0.05 OUTLIER 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 118.548 1.174 . . . . 0.0 113.588 -162.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -151.46 142.51 23.11 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 123.389 1.566 . . . . 0.0 110.255 167.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 . . . . . 0 CA--C 1.566 1.569 0 CA-C-N 112.917 -1.947 . . . . 0.0 106.43 -161.673 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.814 0 N-CA-C 121.095 3.198 . . . . 0.0 121.095 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.2 -51.13 6.83 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -57.36 -17.28 11.77 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 159.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -82.98 -27.11 30.67 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 156.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.77 149.85 26.17 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.708 1.203 . . . . 0.0 112.976 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -39.35 93.89 Favored 'General case' 0 CA--C 1.566 1.592 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -148.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -70.53 -44.12 68.17 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 t -113.8 59.02 0.67 Allowed 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 123.17 1.462 . . . . 0.0 110.356 -176.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-N 112.603 -2.089 . . . . 0.0 111.93 -153.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.6 t . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 118.199 2.666 . . . . 0.0 118.199 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.9 m -127.65 121.62 30.92 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 103.639 -2.726 . . . . 0.0 103.639 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -120.31 117.52 28.03 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 110.705 -2.952 . . . . 0.0 105.345 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 61.01 47.67 7.18 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 113.055 -1.884 . . . . 0.0 115.906 -170.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.21 -23.79 1.42 Allowed Glycine 0 CA--C 1.538 1.518 0 N-CA-C 120.025 2.77 . . . . 0.0 120.025 -169.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 2.9 t -87.87 -149.0 0.16 Allowed 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 118.452 1.126 . . . . 0.0 112.861 -153.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.9 m -121.65 121.8 38.18 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.135 -0.978 . . . . 0.0 108.595 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 . . . . . 0 CA--C 1.564 1.516 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 -177.003 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.801 0 N-CA-C 121.172 3.229 . . . . 0.0 121.172 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 t -85.11 -50.35 7.49 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 173.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -57.67 -14.64 5.87 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 158.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -85.45 -23.85 27.68 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 155.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.16 151.43 25.71 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.739 1.216 . . . . 0.0 112.871 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.23 -46.17 68.01 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -151.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.2 p -63.42 -42.97 98.73 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 118.482 2.771 . . . . 0.0 118.482 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.8 t -112.19 47.92 1.03 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 118.798 0.727 . . . . 0.0 110.607 171.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 ttt-85 . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -176.471 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 m -129.12 123.55 32.45 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 104.218 -2.512 . . . . 0.0 104.218 171.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 tp -111.76 113.78 26.36 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 112.499 -2.137 . . . . 0.0 107.184 169.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 63.86 51.86 2.26 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -177.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.46 -13.73 4.7 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 120.864 3.105 . . . . 0.0 120.864 -171.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.6 p -79.39 -163.31 0.49 Allowed 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -162.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 t -123.97 142.72 50.91 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 122.825 1.298 . . . . 0.0 109.372 163.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 . . . . . 0 CA--C 1.565 1.529 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -167.66 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.782 0 N-CA-C 121.284 3.274 . . . . 0.0 121.284 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -82.92 -49.93 9.12 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -55.75 -25.21 39.59 Favored 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 162.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -76.04 -25.48 55.69 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 158.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.23 153.71 31.67 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 122.5 1.143 . . . . 0.0 113.885 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -71.8 -37.59 70.38 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -155.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.6 p -64.36 -49.98 69.52 Favored 'General case' 0 CA--C 1.558 1.25 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 172.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.5 t -98.89 74.58 2.03 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 172.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 . . . . . 0 CA--C 1.558 1.268 0 CA-C-O 123.054 1.407 . . . . 0.0 113.023 -173.221 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.6 t . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 119.628 3.195 . . . . 0.0 119.628 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.3 m -125.24 118.98 27.21 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 103.922 -2.622 . . . . 0.0 103.922 165.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.05 120.39 40.43 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 169.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 70.58 42.74 0.83 Allowed 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -173.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.62 -4.5 3.97 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 120.748 3.059 . . . . 0.0 120.748 -169.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 p -79.88 -168.46 1.62 Allowed 'General case' 0 CA--C 1.566 1.582 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 -161.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 t -106.72 135.68 47.85 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.641 1.21 . . . . 0.0 108.057 149.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 . . . . . 0 CA--C 1.563 1.459 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -164.08 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.851 0 N-CA-C 121.192 3.237 . . . . 0.0 121.192 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.17 -48.5 10.45 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -51.77 -28.14 14.37 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 161.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -75.67 -26.65 57.84 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 159.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.46 157.26 24.96 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.659 1.184 . . . . 0.0 113.878 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.11 -41.6 58.21 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -151.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.2 p -59.83 -50.08 75.18 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 173.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.4 t -98.39 75.85 2.25 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 . . . . . 0 CA--C 1.561 1.369 0 CA-C-N 114.507 -1.224 . . . . 0.0 113.352 -176.624 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 119.883 3.29 . . . . 0.0 119.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 m -114.25 115.02 26.77 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 103.853 -2.647 . . . . 0.0 103.853 168.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.16 126.94 41.74 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 111.52 -2.582 . . . . 0.0 106.194 172.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 56.71 42.84 26.28 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 116.803 2.149 . . . . 0.0 116.803 -175.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.41 -17.24 1.99 Allowed Glycine 0 CA--C 1.539 1.585 0 N-CA-C 120.926 3.131 . . . . 0.0 120.926 -165.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.284 4.9 t -88.87 -122.58 0.05 Allowed 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 119.255 1.527 . . . . 0.0 111.754 -155.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 t -150.68 145.74 26.02 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 121.043 1.747 . . . . 0.0 110.575 171.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 . . . . . 0 CA--C 1.566 1.573 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 -167.892 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.954 0 N-CA-C 121.192 3.237 . . . . 0.0 121.192 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 t -78.25 -47.51 17.77 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 172.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -50.43 -30.92 13.66 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 117.027 2.232 . . . . 0.0 117.027 161.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -75.88 -25.87 56.52 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 161.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.49 153.02 33.87 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.438 1.095 . . . . 0.0 113.617 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.67 -38.72 70.61 Favored 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -152.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 p -63.4 -49.84 72.23 Favored 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.0 t -100.18 73.91 1.73 Allowed 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 . . . . . 0 CA--C 1.561 1.403 0 CA-C-O 122.665 1.222 . . . . 0.0 113.633 -173.251 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.7 t . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 119.165 3.024 . . . . 0.0 119.165 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.1 m -113.41 110.71 20.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 171.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.44 118.16 36.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 110.408 -3.087 . . . . 0.0 105.464 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 60.19 47.3 9.46 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -170.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.96 -19.04 1.29 Allowed Glycine 0 CA--C 1.543 1.799 0 N-CA-C 120.276 2.87 . . . . 0.0 120.276 -168.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.256 3.4 t -92.26 -143.32 0.2 Allowed 'General case' 0 CA--C 1.571 1.766 0 CA-C-N 118.718 1.259 . . . . 0.0 112.644 -153.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.4 m -123.96 122.02 36.84 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 . . . . . 0 CA--C 1.564 1.506 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -171.616 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.813 0 N-CA-C 120.938 3.135 . . . . 0.0 120.938 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -82.22 -50.28 9.17 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -48.08 -29.35 3.49 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 117.549 2.425 . . . . 0.0 117.549 158.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -76.98 -27.87 54.9 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 160.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.61 155.29 29.67 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.743 1.217 . . . . 0.0 113.598 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.63 -40.3 66.53 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 -149.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 p -66.44 -52.34 47.42 Favored 'General case' 0 CA--C 1.558 1.281 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 t -103.21 68.46 0.97 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 . . . . . 0 CA--C 1.559 1.309 0 CA-C-O 122.51 1.147 . . . . 0.0 111.009 -173.775 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 118.386 2.736 . . . . 0.0 118.386 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.1 m -119.84 115.95 24.87 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 168.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.68 128.39 55.22 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 110.909 -2.86 . . . . 0.0 104.1 170.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 61.67 39.73 14.02 Favored 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 116.979 2.215 . . . . 0.0 116.979 -173.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.1 -16.6 1.55 Allowed Glycine 0 CA--C 1.539 1.59 0 N-CA-C 120.435 2.934 . . . . 0.0 120.435 -166.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -87.54 -154.43 0.25 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-N 119.269 1.534 . . . . 0.0 112.189 -155.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.7 m -122.18 118.67 29.18 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.823 -1.173 . . . . 0.0 108.955 174.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 . . . . . 0 CA--C 1.565 1.527 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -170.704 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.856 0 N-CA-C 121.162 3.225 . . . . 0.0 121.162 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.1 t -82.14 -48.69 11.02 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -53.36 -26.11 17.93 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 161.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -77.93 -26.33 48.89 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 159.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.88 158.54 23.95 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.602 1.191 . . . . 0.0 113.602 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -46.28 52.32 Favored 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -147.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.4 p -58.9 -55.53 33.9 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -110.19 70.55 0.73 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 176.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 . . . . . 0 CA--C 1.559 1.319 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.224 -175.329 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 m -129.73 115.73 17.73 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 103.408 -2.812 . . . . 0.0 103.408 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -105.78 114.68 28.98 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 111.112 -2.767 . . . . 0.0 105.663 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 61.66 50.4 4.46 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -173.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.36 -19.86 1.04 Allowed Glycine 0 N--CA 1.476 1.348 0 N-CA-C 120.313 2.885 . . . . 0.0 120.313 -170.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.278 4.1 t -87.19 -130.43 0.06 Allowed 'General case' 0 CA--C 1.564 1.517 0 CA-C-N 118.977 1.388 . . . . 0.0 111.234 -155.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 t -145.37 143.67 30.25 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 120.792 1.633 . . . . 0.0 111.294 169.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 . . . . . 0 CA--C 1.565 1.55 0 CA-C-N 112.889 -1.96 . . . . 0.0 106.145 -157.732 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.841 0 N-CA-C 120.975 3.15 . . . . 0.0 120.975 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.1 t -85.62 -51.2 6.64 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -56.02 -16.72 5.31 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 157.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -84.98 -23.85 28.54 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 156.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.32 152.67 23.11 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.728 1.211 . . . . 0.0 113.026 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.62 -46.68 68.64 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -151.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.9 p -62.45 -43.76 98.03 Favored 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -112.15 46.96 1.1 Allowed 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 118.463 0.574 . . . . 0.0 111.066 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 . . . . . 0 CA--C 1.559 1.292 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -176.059 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 119.345 3.091 . . . . 0.0 119.345 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 m -127.2 116.17 20.2 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.363 -2.828 . . . . 0.0 103.363 171.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -107.18 114.49 28.58 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 111.217 -2.719 . . . . 0.0 105.55 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 62.2 51.1 3.62 Favored 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 115.813 1.782 . . . . 0.0 115.813 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.62 -20.74 0.99 Allowed Glycine 0 CA--C 1.536 1.403 0 N-CA-C 120.276 2.87 . . . . 0.0 120.276 -170.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.275 3.9 t -88.4 -134.21 0.09 Allowed 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 118.777 1.288 . . . . 0.0 111.525 -154.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 t -136.36 142.68 43.8 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 120.292 1.406 . . . . 0.0 109.957 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 . . . . . 0 CA--C 1.565 1.531 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 -164.462 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.799 0 N-CA-C 121.058 3.183 . . . . 0.0 121.058 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.0 t -86.19 -53.21 5.18 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.06 -27.76 6.08 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 158.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -76.51 -28.5 56.41 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.442 2.015 . . . . 0.0 116.442 159.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.72 157.99 29.84 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 122.706 1.241 . . . . 0.0 113.895 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -44.91 61.08 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-N 113.803 -1.544 . . . . 0.0 115.044 -152.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -64.09 -54.03 40.36 Favored 'General case' 0 CA--C 1.558 1.251 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t -103.48 67.68 0.92 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 . . . . . 0 CA--C 1.559 1.301 0 CA-C-O 122.838 1.304 . . . . 0.0 110.76 -175.05 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 119.229 3.048 . . . . 0.0 119.229 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 13.7 m -115.41 115.6 26.84 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 104.319 -2.474 . . . . 0.0 104.319 168.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.54 120.6 40.82 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 110.405 -3.089 . . . . 0.0 105.882 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 57.5 45.58 19.34 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -171.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.03 -19.21 1.76 Allowed Glycine 0 CA--C 1.536 1.389 0 N-CA-C 120.626 3.01 . . . . 0.0 120.626 -168.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 3.6 t -86.38 -134.86 0.07 Allowed 'General case' 0 CA--C 1.568 1.659 0 CA-C-N 119.169 1.484 . . . . 0.0 111.931 -157.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.9 m -140.43 129.81 23.91 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 120.871 1.669 . . . . 0.0 109.449 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 . . . . . 0 CA--C 1.567 1.619 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 -170.916 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.906 0 N-CA-C 121.271 3.268 . . . . 0.0 121.271 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.1 t -81.61 -46.79 13.89 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 176.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -54.1 -26.4 27.04 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 161.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -76.41 -24.19 54.03 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 116.727 2.121 . . . . 0.0 116.727 159.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.15 164.18 23.52 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.851 1.31 . . . . 0.0 114.53 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.28 -48.34 61.97 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 113.487 -1.688 . . . . 0.0 114.908 -155.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -62.04 -55.56 27.86 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 174.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 80.9 m -101.2 77.39 1.8 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 . . . . . 0 CA--C 1.561 1.386 0 CA-C-N 113.241 -1.8 . . . . 0.0 113.436 -174.059 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 119.042 2.978 . . . . 0.0 119.042 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 6.3 m -114.27 118.67 34.59 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.91 -2.626 . . . . 0.0 103.91 173.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.36 111.05 23.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 111.078 -2.783 . . . . 0.0 106.906 -175.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 55.84 49.04 16.85 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -171.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.08 -31.8 1.78 Allowed Glycine 0 CA--C 1.54 1.647 0 N-CA-C 119.939 2.735 . . . . 0.0 119.939 -162.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -92.48 147.84 22.58 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 122.71 1.243 . . . . 0.0 112.817 -157.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.1 m -77.14 123.39 26.33 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 113.745 -1.57 . . . . 0.0 112.317 -167.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 . . . . . 0 CA--C 1.566 1.565 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -165.023 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.881 0 N-CA-C 121.182 3.233 . . . . 0.0 121.182 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.2 t -84.5 -46.74 11.32 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -56.05 -16.56 5.18 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 160.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -86.62 -25.78 24.74 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 157.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.19 149.66 25.36 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.635 1.174 . . . . 0.0 113.016 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.89 -53.48 45.96 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.312 1.968 . . . . 0.0 116.312 -147.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.6 p -53.5 -42.22 67.09 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 119.062 2.986 . . . . 0.0 119.062 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 77.8 m -121.55 50.3 1.42 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.591 0.71 . . . . 0.0 110.299 174.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 . . . . . 0 CA--C 1.56 1.33 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.728 173.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 118.528 2.788 . . . . 0.0 118.528 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 6.6 m -125.2 126.79 45.77 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 171.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -126.99 105.47 8.63 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 112.705 -2.043 . . . . 0.0 106.682 -173.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 66.51 51.96 1.09 Allowed 'General case' 0 CA--C 1.565 1.539 0 CA-C-N 113.463 -1.698 . . . . 0.0 115.189 -168.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.37 -28.89 1.99 Allowed Glycine 0 N--CA 1.478 1.461 0 N-CA-C 119.373 2.509 . . . . 0.0 119.373 -164.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -107.65 135.68 48.68 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -150.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 m -68.69 131.2 44.8 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 114.163 -1.38 . . . . 0.0 112.069 -167.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 . . . . . 0 CA--C 1.565 1.532 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 -158.85 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.847 0 N-CA-C 121.195 3.238 . . . . 0.0 121.195 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.2 t -81.14 -48.45 12.11 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -52.48 -29.55 25.44 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 160.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -73.83 -24.68 59.82 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 160.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.11 162.56 24.7 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 122.964 1.364 . . . . 0.0 114.257 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.83 -49.15 49.37 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.477 -1.692 . . . . 0.0 114.836 -153.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 p -59.3 -58.96 6.34 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 91.7 m -102.62 76.52 1.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 . . . . . 0 CA--C 1.562 1.44 0 CA-C-N 113.618 -1.628 . . . . 0.0 113.963 -173.231 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.3 t . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 118.568 2.803 . . . . 0.0 118.568 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.8 m -120.48 118.05 29.27 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 102.976 -2.972 . . . . 0.0 102.976 165.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.88 129.3 55.91 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 170.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 62.55 40.32 10.71 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.95 -13.27 1.39 Allowed Glycine 0 CA--C 1.539 1.564 0 N-CA-C 120.749 3.059 . . . . 0.0 120.749 -167.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.257 3.9 t -89.09 -132.79 0.09 Allowed 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 119.351 1.575 . . . . 0.0 111.434 -155.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.3 t -142.13 142.86 32.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 123.087 1.422 . . . . 0.0 109.785 165.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 CA--C 1.564 1.499 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 -166.688 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.813 0 N-CA-C 121.104 3.201 . . . . 0.0 121.104 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 t -82.64 -48.43 10.93 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -55.6 -24.2 31.65 Favored 'General case' 0 CA--C 1.574 1.904 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 159.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -77.44 -25.38 50.6 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 116.398 1.999 . . . . 0.0 116.398 158.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.2 151.79 23.83 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.546 1.138 . . . . 0.0 112.968 -177.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -66.13 -49.63 66.8 Favored 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -149.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.4 p -58.81 -45.91 88.85 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -104.67 36.0 2.57 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 . . . . . 0 CA--C 1.562 1.42 0 C-N-CA 123.4 0.68 . . . . 0.0 111.766 167.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 118.912 2.93 . . . . 0.0 118.912 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.2 m -124.92 115.53 20.75 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 172.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.32 120.76 42.7 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 111.164 -2.744 . . . . 0.0 106.662 170.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 59.19 48.21 10.7 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.84 -21.77 1.56 Allowed Glycine 0 CA--C 1.542 1.72 0 N-CA-C 120.224 2.849 . . . . 0.0 120.224 -168.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.255 2.9 t -90.87 -148.69 0.21 Allowed 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 118.628 1.214 . . . . 0.0 112.613 -152.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.3 m -119.1 122.34 41.86 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 . . . . . 0 CA--C 1.562 1.433 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 -169.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.82 0 N-CA-C 120.989 3.155 . . . . 0.0 120.989 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.8 t -85.43 -51.16 6.73 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 173.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -55.84 -15.47 3.33 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 157.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -86.13 -24.27 26.28 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 156.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.37 153.63 24.46 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.777 1.231 . . . . 0.0 112.877 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -52.27 44.22 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -152.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 p -62.05 -40.14 94.74 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.0 t -114.64 49.13 1.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.252 0.548 . . . . 0.0 110.473 169.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -178.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 N-CA-C 117.138 1.615 . . . . 0.0 117.138 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.412 ' HA ' HD23 ' A' ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . 0.412 HD23 ' HA ' ' A' ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.7 t -61.56 -38.95 89.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 109.909 -3.314 . . . . 0.0 119.37 161.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.1 m -131.1 119.06 21.4 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.2 tp -109.55 112.34 24.38 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 111.629 -2.532 . . . . 0.0 106.672 168.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 65.18 51.83 1.58 Allowed 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.79 -13.97 3.83 Favored Glycine 0 N--CA 1.481 1.644 0 N-CA-C 120.721 3.048 . . . . 0.0 120.721 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.2 p -78.75 177.52 8.6 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -160.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.1 m -97.34 115.38 27.58 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 160.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -130.67 99.44 4.96 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -168.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -149.13 162.98 38.89 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.291 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.92 15.28 79.43 Favored Glycine 0 CA--C 1.542 1.777 0 CA-C-N 109.401 -3.545 . . . . 0.0 121.031 -164.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 t -83.67 -51.13 7.53 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 175.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -49.04 -28.08 3.77 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 117.494 2.405 . . . . 0.0 117.494 158.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -76.83 -28.12 55.41 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 159.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.19 159.84 27.2 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.774 1.23 . . . . 0.0 113.869 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.5 -44.91 61.61 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 -150.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.8 p -64.26 -54.85 26.82 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.5 t -103.1 68.91 1.0 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -88.55 68.69 8.78 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 122.521 1.153 . . . . 0.0 110.799 -175.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -108.34 -138.1 0.37 Allowed 'General case' 0 CA--C 1.563 1.456 0 CA-C-N 113.859 -1.518 . . . . 0.0 108.591 -171.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.554 0 O-C-N 118.124 -2.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.359 0 N-CA-C 117.174 1.63 . . . . 0.0 117.174 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.8 t -51.94 -51.48 56.72 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 110.059 -3.246 . . . . 0.0 118.296 158.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 m -120.37 117.32 27.44 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 103.611 -2.737 . . . . 0.0 103.611 171.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.27 128.66 56.01 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 111.165 -2.743 . . . . 0.0 103.826 168.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 62.25 40.8 11.12 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -173.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.17 -16.67 1.56 Allowed Glycine 0 CA--C 1.542 1.776 0 N-CA-C 120.44 2.936 . . . . 0.0 120.44 -167.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -90.62 -155.08 0.37 Allowed 'General case' 0 CA--C 1.571 1.777 0 CA-C-N 119.001 1.4 . . . . 0.0 112.902 -152.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 m -114.74 119.91 38.27 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.173 -0.954 . . . . 0.0 108.443 171.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -136.67 105.64 5.93 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -146.3 162.68 37.61 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 114.074 -1.421 . . . . 0.0 111.006 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.67 15.39 79.61 Favored Glycine 0 CA--C 1.544 1.876 0 CA-C-N 109.613 -3.449 . . . . 0.0 121.011 -164.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -85.31 -49.58 8.05 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -55.48 -18.64 7.52 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 156.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -82.72 -22.97 34.27 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 156.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.17 153.92 20.85 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.774 1.23 . . . . 0.0 112.78 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 tp -69.22 -45.4 69.94 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -151.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.27 -42.91 96.23 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 117.927 2.565 . . . . 0.0 117.927 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.91 48.43 1.02 Allowed 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 118.39 0.541 . . . . 0.0 110.55 171.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 ttt-85 -71.17 -53.81 13.2 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -94.52 75.05 3.8 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 121.666 0.746 . . . . 0.0 109.557 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 O-C-N 117.056 -3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.34 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.422 ' HA ' HD23 ' A' ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . 0.422 HD23 ' HA ' ' A' ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.2 t -44.39 -41.02 5.85 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 120.728 3.603 . . . . 0.0 120.728 158.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.4 m -120.6 113.87 20.88 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 103.858 -2.645 . . . . 0.0 103.858 169.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.38 127.29 36.15 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 111.672 -2.513 . . . . 0.0 106.592 170.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 55.01 42.19 31.23 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.75 -15.95 2.75 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 121.067 3.187 . . . . 0.0 121.067 -165.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.279 4.7 t -89.08 -122.03 0.05 Allowed 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 119.487 1.644 . . . . 0.0 111.608 -156.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.6 t -150.43 145.79 26.26 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 121.248 1.84 . . . . 0.0 111.402 169.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -160.55 103.18 1.38 Allowed 'General case' 0 CA--C 1.564 1.507 0 CA-C-N 113.14 -1.845 . . . . 0.0 106.545 -156.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -146.69 163.81 34.71 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 114.205 -1.361 . . . . 0.0 111.212 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.96 12.61 83.21 Favored Glycine 0 CA--C 1.544 1.887 0 CA-C-N 109.683 -3.417 . . . . 0.0 121.088 -164.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.1 t -84.81 -48.84 8.97 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 175.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -55.1 -25.06 28.9 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 159.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -76.32 -25.81 55.16 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 158.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.11 152.74 22.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.533 1.133 . . . . 0.0 113.132 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.18 -49.32 67.76 Favored 'General case' 0 CA--C 1.557 1.23 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 -151.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.3 p -60.08 -44.53 94.7 Favored 'General case' 0 CA--C 1.561 1.377 0 N-CA-C 117.802 2.519 . . . . 0.0 117.802 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -106.32 37.81 2.2 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -72.49 -61.49 1.78 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.311 0.645 . . . . 0.0 111.613 167.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -98.99 -134.49 0.27 Allowed 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.649 0 O-C-N 118.761 -2.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.777 0 N-CA-C 116.593 1.397 . . . . 0.0 116.593 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t -64.75 -39.12 93.1 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 109.738 -3.392 . . . . 0.0 118.85 165.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.8 m -133.9 121.84 22.29 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 104.073 -2.566 . . . . 0.0 104.073 170.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 tp -105.03 115.02 29.56 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 112.77 -2.014 . . . . 0.0 108.092 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 61.05 49.7 5.51 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.56 -10.28 8.91 Favored Glycine 0 N--CA 1.477 1.432 0 N-CA-C 120.987 3.155 . . . . 0.0 120.987 -169.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 19.4 p -81.89 -140.91 0.05 OUTLIER 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 118.548 1.174 . . . . 0.0 113.588 -162.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -151.46 142.51 23.11 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 123.389 1.566 . . . . 0.0 110.255 167.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -154.56 103.19 2.45 Favored 'General case' 0 CA--C 1.566 1.569 0 CA-C-N 112.917 -1.947 . . . . 0.0 106.43 -161.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -150.36 163.96 37.04 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.19 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.14 12.39 80.96 Favored Glycine 0 CA--C 1.543 1.814 0 CA-C-N 109.53 -3.486 . . . . 0.0 121.095 -163.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.2 -51.13 6.83 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -57.36 -17.28 11.77 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 159.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -82.98 -27.11 30.67 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 156.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.77 149.85 26.17 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.708 1.203 . . . . 0.0 112.976 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -39.35 93.89 Favored 'General case' 0 CA--C 1.566 1.592 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -148.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -70.53 -44.12 68.17 Favored 'General case' 0 CA--C 1.559 1.312 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 t -113.8 59.02 0.67 Allowed 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 123.17 1.462 . . . . 0.0 110.356 -176.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.41 -63.01 1.44 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 112.603 -2.089 . . . . 0.0 111.93 -153.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -96.67 -138.81 0.27 Allowed 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.776 0.831 . . . . 0.0 109.237 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 O-C-N 117.933 -2.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.366 0 N-CA-C 117.075 1.59 . . . . 0.0 117.075 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.431 ' HA ' HD23 ' A' ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . 0.431 HD23 ' HA ' ' A' ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.6 t -59.27 -46.43 88.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 109.831 -3.349 . . . . 0.0 118.199 161.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.9 m -127.65 121.62 30.92 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 103.639 -2.726 . . . . 0.0 103.639 173.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -120.31 117.52 28.03 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 110.705 -2.952 . . . . 0.0 105.345 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 61.01 47.67 7.18 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 113.055 -1.884 . . . . 0.0 115.906 -170.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.21 -23.79 1.42 Allowed Glycine 0 CA--C 1.538 1.518 0 N-CA-C 120.025 2.77 . . . . 0.0 120.025 -169.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 2.9 t -87.87 -149.0 0.16 Allowed 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 118.452 1.126 . . . . 0.0 112.861 -153.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.9 m -121.65 121.8 38.18 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.135 -0.978 . . . . 0.0 108.595 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -135.0 103.13 5.45 Favored 'General case' 0 CA--C 1.564 1.516 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -147.87 163.18 37.56 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.029 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.78 13.29 80.03 Favored Glycine 0 CA--C 1.543 1.801 0 CA-C-N 109.419 -3.537 . . . . 0.0 121.172 -163.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 t -85.11 -50.35 7.49 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 173.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -57.67 -14.64 5.87 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 158.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -85.45 -23.85 27.68 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 155.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.16 151.43 25.71 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.739 1.216 . . . . 0.0 112.871 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.23 -46.17 68.01 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -151.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.2 p -63.42 -42.97 98.73 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 118.482 2.771 . . . . 0.0 118.482 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.8 t -112.19 47.92 1.03 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 118.798 0.727 . . . . 0.0 110.607 171.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 ttt-85 -71.58 -54.52 10.2 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -99.08 75.69 2.05 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 121.615 0.721 . . . . 0.0 109.376 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 O-C-N 117.066 -3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.836 0 N-CA-C 116.541 1.376 . . . . 0.0 116.541 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.08 -40.18 86.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 109.724 -3.398 . . . . 0.0 118.701 164.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 m -129.12 123.55 32.45 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 104.218 -2.512 . . . . 0.0 104.218 171.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 tp -111.76 113.78 26.36 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 112.499 -2.137 . . . . 0.0 107.184 169.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 63.86 51.86 2.26 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -177.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.46 -13.73 4.7 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 120.864 3.105 . . . . 0.0 120.864 -171.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.6 p -79.39 -163.31 0.49 Allowed 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -162.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 t -123.97 142.72 50.91 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 122.825 1.298 . . . . 0.0 109.372 163.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -149.94 105.89 3.45 Favored 'General case' 0 CA--C 1.565 1.529 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -167.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -149.4 163.09 38.71 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 113.98 -1.463 . . . . 0.0 110.86 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.83 5.82 89.01 Favored Glycine 0 CA--C 1.543 1.782 0 CA-C-N 109.486 -3.506 . . . . 0.0 121.284 -164.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 t -82.92 -49.93 9.12 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -55.75 -25.21 39.59 Favored 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 162.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -76.04 -25.48 55.69 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 158.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.23 153.71 31.67 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 122.5 1.143 . . . . 0.0 113.885 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -71.8 -37.59 70.38 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -155.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.6 p -64.36 -49.98 69.52 Favored 'General case' 0 CA--C 1.558 1.25 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 172.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.5 t -98.89 74.58 2.03 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 172.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -83.46 67.37 9.32 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 123.054 1.407 . . . . 0.0 113.023 -173.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -96.27 67.09 2.51 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.057 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 116.68 -3.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.347 0 N-CA-C 117.143 1.617 . . . . 0.0 117.143 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.402 ' HA ' HD23 ' A' ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . 0.402 HD23 ' HA ' ' A' ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.6 t -55.22 -41.72 72.42 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 110.141 -3.209 . . . . 0.0 119.628 161.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.3 m -125.24 118.98 27.21 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 103.922 -2.622 . . . . 0.0 103.922 165.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.05 120.39 40.43 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 104.627 -2.36 . . . . 0.0 104.627 169.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 70.58 42.74 0.83 Allowed 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -173.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.62 -4.5 3.97 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 120.748 3.059 . . . . 0.0 120.748 -169.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 p -79.88 -168.46 1.62 Allowed 'General case' 0 CA--C 1.566 1.582 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 -161.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 t -106.72 135.68 47.85 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 122.641 1.21 . . . . 0.0 108.057 149.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -148.39 99.43 3.03 Favored 'General case' 0 CA--C 1.563 1.459 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -164.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -148.64 163.31 37.66 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 114.126 -1.397 . . . . 0.0 111.157 -176.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.03 11.73 84.14 Favored Glycine 0 CA--C 1.544 1.851 0 CA-C-N 109.539 -3.482 . . . . 0.0 121.192 -164.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.3 t -83.17 -48.5 10.45 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -51.77 -28.14 14.37 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 161.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -75.67 -26.65 57.84 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 159.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.46 157.26 24.96 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.659 1.184 . . . . 0.0 113.878 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.11 -41.6 58.21 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -151.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.2 p -59.83 -50.08 75.18 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 173.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.4 t -98.39 75.85 2.25 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -81.49 65.04 6.46 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-N 114.507 -1.224 . . . . 0.0 113.352 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -97.38 65.69 1.97 Allowed 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.737 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 117.102 -3.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.372 0 N-CA-C 116.973 1.549 . . . . 0.0 116.973 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.8 t -38.51 -48.29 1.38 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 119.883 3.29 . . . . 0.0 119.883 158.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 m -114.25 115.02 26.77 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 103.853 -2.647 . . . . 0.0 103.853 168.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.16 126.94 41.74 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 111.52 -2.582 . . . . 0.0 106.194 172.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 56.71 42.84 26.28 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 116.803 2.149 . . . . 0.0 116.803 -175.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.41 -17.24 1.99 Allowed Glycine 0 CA--C 1.539 1.585 0 N-CA-C 120.926 3.131 . . . . 0.0 120.926 -165.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.284 4.9 t -88.87 -122.58 0.05 Allowed 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 119.255 1.527 . . . . 0.0 111.754 -155.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 t -150.68 145.74 26.02 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 121.043 1.747 . . . . 0.0 110.575 171.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -158.79 107.84 1.94 Allowed 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 -167.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -93.98 166.08 12.33 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.515 161.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.1 10.27 85.09 Favored Glycine 0 CA--C 1.545 1.954 0 CA-C-N 109.653 -3.43 . . . . 0.0 121.192 -163.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.8 t -78.25 -47.51 17.77 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 172.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -50.43 -30.92 13.66 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 117.027 2.232 . . . . 0.0 117.027 161.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -75.88 -25.87 56.52 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 161.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.49 153.02 33.87 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.438 1.095 . . . . 0.0 113.617 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.67 -38.72 70.61 Favored 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -152.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 p -63.4 -49.84 72.23 Favored 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.0 t -100.18 73.91 1.73 Allowed 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 173.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -83.43 63.25 7.21 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 122.665 1.222 . . . . 0.0 113.633 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -92.72 63.81 4.0 Favored 'General case' 0 CA--C 1.567 1.611 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.335 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 O-C-N 117.022 -3.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.729 0 N-CA-C 116.632 1.413 . . . . 0.0 116.632 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.7 t -41.01 -50.2 3.32 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 119.165 3.024 . . . . 0.0 119.165 159.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.1 m -113.41 110.71 20.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 171.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.44 118.16 36.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 110.408 -3.087 . . . . 0.0 105.464 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 60.19 47.3 9.46 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -170.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.96 -19.04 1.29 Allowed Glycine 0 CA--C 1.543 1.799 0 N-CA-C 120.276 2.87 . . . . 0.0 120.276 -168.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.256 3.4 t -92.26 -143.32 0.2 Allowed 'General case' 0 CA--C 1.571 1.766 0 CA-C-N 118.718 1.259 . . . . 0.0 112.644 -153.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.4 m -123.96 122.02 36.84 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -140.5 112.84 7.88 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -171.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -141.38 162.18 36.11 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.837 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.07 16.62 80.55 Favored Glycine 0 CA--C 1.543 1.813 0 CA-C-N 109.614 -3.448 . . . . 0.0 120.938 -164.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -82.22 -50.28 9.17 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -48.08 -29.35 3.49 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 117.549 2.425 . . . . 0.0 117.549 158.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -76.98 -27.87 54.9 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 160.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.61 155.29 29.67 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.743 1.217 . . . . 0.0 113.598 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.63 -40.3 66.53 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 -149.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 p -66.44 -52.34 47.42 Favored 'General case' 0 CA--C 1.558 1.281 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.2 t -103.21 68.46 0.97 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -88.5 67.86 8.64 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 122.51 1.147 . . . . 0.0 111.009 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -102.23 -132.6 0.28 Allowed 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 113.907 -1.497 . . . . 0.0 108.276 -171.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.719 0 O-C-N 118.997 -2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.342 0 N-CA-C 117.174 1.63 . . . . 0.0 117.174 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.402 ' HA ' HD23 ' A' ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . 0.402 HD23 ' HA ' ' A' ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.8 t -52.1 -50.13 62.24 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 110.093 -3.23 . . . . 0.0 118.386 159.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.1 m -119.84 115.95 24.87 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 168.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.68 128.39 55.22 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 110.909 -2.86 . . . . 0.0 104.1 170.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 61.67 39.73 14.02 Favored 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 116.979 2.215 . . . . 0.0 116.979 -173.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.1 -16.6 1.55 Allowed Glycine 0 CA--C 1.539 1.59 0 N-CA-C 120.435 2.934 . . . . 0.0 120.435 -166.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -87.54 -154.43 0.25 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-N 119.269 1.534 . . . . 0.0 112.189 -155.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.7 m -122.18 118.67 29.18 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.823 -1.173 . . . . 0.0 108.955 174.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -138.44 107.21 5.93 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -170.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -147.46 163.66 35.82 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.925 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.83 11.39 83.95 Favored Glycine 0 CA--C 1.544 1.856 0 CA-C-N 109.569 -3.469 . . . . 0.0 121.162 -164.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.1 t -82.14 -48.69 11.02 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -53.36 -26.11 17.93 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 161.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -77.93 -26.33 48.89 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 159.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.88 158.54 23.95 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.602 1.191 . . . . 0.0 113.602 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.09 -46.28 52.32 Favored 'General case' 0 CA--C 1.557 1.24 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -147.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.4 p -58.9 -55.53 33.9 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -110.19 70.55 0.73 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 176.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -89.09 67.1 7.96 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.224 -175.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -99.48 -131.52 0.23 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.508 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.675 0 O-C-N 119.089 -2.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.294 0 N-CA-C 117.03 1.572 . . . . 0.0 117.03 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.1 t -57.35 -38.69 74.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 109.522 -3.49 . . . . 0.0 119.456 165.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 m -129.73 115.73 17.73 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 103.408 -2.812 . . . . 0.0 103.408 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -105.78 114.68 28.98 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 111.112 -2.767 . . . . 0.0 105.663 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 61.66 50.4 4.46 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -173.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.36 -19.86 1.04 Allowed Glycine 0 N--CA 1.476 1.348 0 N-CA-C 120.313 2.885 . . . . 0.0 120.313 -170.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.278 4.1 t -87.19 -130.43 0.06 Allowed 'General case' 0 CA--C 1.564 1.517 0 CA-C-N 118.977 1.388 . . . . 0.0 111.234 -155.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 t -145.37 143.67 30.25 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 120.792 1.633 . . . . 0.0 111.294 169.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -156.9 102.24 1.99 Allowed 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 112.889 -1.96 . . . . 0.0 106.145 -157.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -149.05 163.45 37.5 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.265 -178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.99 15.98 75.98 Favored Glycine 0 CA--C 1.543 1.841 0 CA-C-N 109.485 -3.507 . . . . 0.0 120.975 -163.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.1 t -85.62 -51.2 6.64 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -56.02 -16.72 5.31 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 117.73 2.493 . . . . 0.0 117.73 157.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -84.98 -23.85 28.54 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 156.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.32 152.67 23.11 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.728 1.211 . . . . 0.0 113.026 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.62 -46.68 68.64 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -151.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.9 p -62.45 -43.76 98.03 Favored 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 118.288 2.699 . . . . 0.0 118.288 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -112.15 46.96 1.1 Allowed 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 118.463 0.574 . . . . 0.0 111.066 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 -72.58 -55.02 7.55 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -176.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -139.98 -133.83 0.11 Allowed 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.639 0 O-C-N 118.855 -2.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.295 0 N-CA-C 117.031 1.573 . . . . 0.0 117.031 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.9 t -56.79 -40.36 75.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 109.51 -3.495 . . . . 0.0 119.345 165.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 m -127.2 116.17 20.2 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.363 -2.828 . . . . 0.0 103.363 171.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -107.18 114.49 28.58 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 111.217 -2.719 . . . . 0.0 105.55 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 62.2 51.1 3.62 Favored 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 115.813 1.782 . . . . 0.0 115.813 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.62 -20.74 0.99 Allowed Glycine 0 CA--C 1.536 1.403 0 N-CA-C 120.276 2.87 . . . . 0.0 120.276 -170.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.275 3.9 t -88.4 -134.21 0.09 Allowed 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 118.777 1.288 . . . . 0.0 111.525 -154.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 t -136.36 142.68 43.8 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 120.292 1.406 . . . . 0.0 109.957 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -153.71 91.92 1.52 Allowed 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 -164.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -139.39 165.01 28.34 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.089 0.956 . . . . 0.0 111.298 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.88 15.82 74.21 Favored Glycine 0 CA--C 1.543 1.799 0 CA-C-N 109.181 -3.645 . . . . 0.0 121.058 -163.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.0 t -86.19 -53.21 5.18 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.06 -27.76 6.08 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 158.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -76.51 -28.5 56.41 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.442 2.015 . . . . 0.0 116.442 159.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.72 157.99 29.84 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 122.706 1.241 . . . . 0.0 113.895 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -44.91 61.08 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-N 113.803 -1.544 . . . . 0.0 115.044 -152.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -64.09 -54.03 40.36 Favored 'General case' 0 CA--C 1.558 1.251 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t -103.48 67.68 0.92 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -87.59 69.91 9.74 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-O 122.838 1.304 . . . . 0.0 110.76 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -97.13 -130.7 0.19 Allowed 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.368 -171.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 O-C-N 119.128 -2.233 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.693 0 N-CA-C 116.616 1.407 . . . . 0.0 116.616 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.9 t -39.74 -48.77 2.24 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 119.229 3.048 . . . . 0.0 119.229 160.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 13.7 m -115.41 115.6 26.84 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 104.319 -2.474 . . . . 0.0 104.319 168.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.54 120.6 40.82 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 110.405 -3.089 . . . . 0.0 105.882 177.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 57.5 45.58 19.34 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -171.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.03 -19.21 1.76 Allowed Glycine 0 CA--C 1.536 1.389 0 N-CA-C 120.626 3.01 . . . . 0.0 120.626 -168.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 3.6 t -86.38 -134.86 0.07 Allowed 'General case' 0 CA--C 1.568 1.659 0 CA-C-N 119.169 1.484 . . . . 0.0 111.931 -157.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.9 m -140.43 129.81 23.91 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 120.871 1.669 . . . . 0.0 109.449 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -145.64 115.0 7.13 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 -170.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -137.79 164.47 28.83 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 113.827 -1.533 . . . . 0.0 110.308 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.61 6.97 88.71 Favored Glycine 0 CA--C 1.545 1.906 0 CA-C-N 109.638 -3.437 . . . . 0.0 121.271 -164.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.1 t -81.61 -46.79 13.89 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 176.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -54.1 -26.4 27.04 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 161.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -76.41 -24.19 54.03 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 116.727 2.121 . . . . 0.0 116.727 159.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.15 164.18 23.52 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.851 1.31 . . . . 0.0 114.53 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.28 -48.34 61.97 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 113.487 -1.688 . . . . 0.0 114.908 -155.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -62.04 -55.56 27.86 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 174.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 80.9 m -101.2 77.39 1.8 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -83.45 62.8 6.97 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-N 113.241 -1.8 . . . . 0.0 113.436 -174.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -89.24 -130.01 0.08 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.947 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.787 0 O-C-N 119.125 -2.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.753 0 N-CA-C 116.591 1.397 . . . . 0.0 116.591 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 t -40.69 -52.79 2.89 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 110.38 -3.1 . . . . 0.0 119.042 158.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 6.3 m -114.27 118.67 34.59 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.91 -2.626 . . . . 0.0 103.91 173.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.36 111.05 23.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 111.078 -2.783 . . . . 0.0 106.906 -175.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 55.84 49.04 16.85 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -171.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.08 -31.8 1.78 Allowed Glycine 0 CA--C 1.54 1.647 0 N-CA-C 119.939 2.735 . . . . 0.0 119.939 -162.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -92.48 147.84 22.58 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 122.71 1.243 . . . . 0.0 112.817 -157.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.1 m -77.14 123.39 26.33 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 113.745 -1.57 . . . . 0.0 112.317 -167.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 -144.92 115.15 7.51 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -165.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -140.27 163.41 32.84 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 114.1 -1.409 . . . . 0.0 110.529 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.46 10.49 85.85 Favored Glycine 0 CA--C 1.544 1.881 0 CA-C-N 109.726 -3.397 . . . . 0.0 121.182 -164.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.2 t -84.5 -46.74 11.32 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -56.05 -16.56 5.18 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 160.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -86.62 -25.78 24.74 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 157.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.19 149.66 25.36 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.635 1.174 . . . . 0.0 113.016 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.89 -53.48 45.96 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.312 1.968 . . . . 0.0 116.312 -147.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.6 p -53.5 -42.22 67.09 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 119.062 2.986 . . . . 0.0 119.062 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 77.8 m -121.55 50.3 1.42 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.591 0.71 . . . . 0.0 110.299 174.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -71.85 -61.26 1.85 Allowed 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.728 173.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -99.03 -139.5 0.31 Allowed 'General case' 0 CA--C 1.566 1.56 0 C-N-CA 123.862 0.865 . . . . 0.0 108.954 -176.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 117.959 -2.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.659 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.5 t -56.81 -47.16 80.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 109.608 -3.451 . . . . 0.0 118.528 162.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 6.6 m -125.2 126.79 45.77 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 171.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -126.99 105.47 8.63 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 112.705 -2.043 . . . . 0.0 106.682 -173.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 66.51 51.96 1.09 Allowed 'General case' 0 CA--C 1.565 1.539 0 CA-C-N 113.463 -1.698 . . . . 0.0 115.189 -168.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.37 -28.89 1.99 Allowed Glycine 0 N--CA 1.478 1.461 0 N-CA-C 119.373 2.509 . . . . 0.0 119.373 -164.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -107.65 135.68 48.68 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -150.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 m -68.69 131.2 44.8 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 114.163 -1.38 . . . . 0.0 112.069 -167.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -151.97 101.32 2.73 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 -158.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -147.37 164.02 34.6 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 114.462 -1.244 . . . . 0.0 111.276 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.17 11.71 83.23 Favored Glycine 0 CA--C 1.544 1.847 0 CA-C-N 109.618 -3.447 . . . . 0.0 121.195 -164.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.2 t -81.14 -48.45 12.11 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -52.48 -29.55 25.44 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 160.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -73.83 -24.68 59.82 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 160.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.11 162.56 24.7 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 122.964 1.364 . . . . 0.0 114.257 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.83 -49.15 49.37 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.477 -1.692 . . . . 0.0 114.836 -153.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.8 p -59.3 -58.96 6.34 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 174.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 91.7 m -102.62 76.52 1.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -84.07 58.37 4.7 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-N 113.618 -1.628 . . . . 0.0 113.963 -173.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -95.5 59.83 2.17 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.933 0.873 . . . . 0.0 112.307 -171.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 O-C-N 117.014 -3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.642 0 N-CA-C 116.614 1.406 . . . . 0.0 116.614 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.3 t -48.59 -49.0 38.62 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 110.177 -3.192 . . . . 0.0 118.568 162.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.8 m -120.48 118.05 29.27 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 102.976 -2.972 . . . . 0.0 102.976 165.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.88 129.3 55.91 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 104.087 -2.56 . . . . 0.0 104.087 170.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 62.55 40.32 10.71 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.95 -13.27 1.39 Allowed Glycine 0 CA--C 1.539 1.564 0 N-CA-C 120.749 3.059 . . . . 0.0 120.749 -167.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.257 3.9 t -89.09 -132.79 0.09 Allowed 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 119.351 1.575 . . . . 0.0 111.434 -155.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.3 t -142.13 142.86 32.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 123.087 1.422 . . . . 0.0 109.785 165.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -154.85 105.32 2.57 Favored 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 -166.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -145.62 163.53 34.53 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 114.026 -1.443 . . . . 0.0 110.805 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.34 12.99 82.48 Favored Glycine 0 CA--C 1.543 1.813 0 CA-C-N 109.58 -3.464 . . . . 0.0 121.104 -163.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 t -82.64 -48.43 10.93 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -55.6 -24.2 31.65 Favored 'General case' 0 CA--C 1.574 1.904 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 159.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -77.44 -25.38 50.6 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 116.398 1.999 . . . . 0.0 116.398 158.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.2 151.79 23.83 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.546 1.138 . . . . 0.0 112.968 -177.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -66.13 -49.63 66.8 Favored 'General case' 0 CA--C 1.557 1.229 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -149.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.4 p -58.81 -45.91 88.85 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -104.67 36.0 2.57 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 173.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -72.14 -60.74 2.08 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 123.4 0.68 . . . . 0.0 111.766 167.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -98.61 -134.47 0.26 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 174.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.651 0 O-C-N 118.74 -2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.367 0 N-CA-C 117.169 1.628 . . . . 0.0 117.169 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.414 ' HA ' HD23 ' A' ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . 0.414 HD23 ' HA ' ' A' ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.49 -43.87 93.2 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 109.918 -3.31 . . . . 0.0 118.912 160.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.2 m -124.92 115.53 20.75 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 172.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.32 120.76 42.7 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 111.164 -2.744 . . . . 0.0 106.662 170.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 59.19 48.21 10.7 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.84 -21.77 1.56 Allowed Glycine 0 CA--C 1.542 1.72 0 N-CA-C 120.224 2.849 . . . . 0.0 120.224 -168.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.255 2.9 t -90.87 -148.69 0.21 Allowed 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 118.628 1.214 . . . . 0.0 112.613 -152.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.3 m -119.1 122.34 41.86 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -138.1 99.1 3.79 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 -169.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -148.58 162.67 39.2 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.33 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.38 15.32 78.6 Favored Glycine 0 CA--C 1.543 1.82 0 CA-C-N 109.521 -3.491 . . . . 0.0 120.989 -164.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.8 t -85.43 -51.16 6.73 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 173.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -55.84 -15.47 3.33 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 117.892 2.553 . . . . 0.0 117.892 157.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -86.13 -24.27 26.28 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 156.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.37 153.63 24.46 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.777 1.231 . . . . 0.0 112.877 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -52.27 44.22 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -152.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 p -62.05 -40.14 94.74 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.0 t -114.64 49.13 1.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.252 0.548 . . . . 0.0 110.473 169.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -71.92 -56.0 6.47 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -119.24 -138.5 0.35 Allowed 'General case' 0 CA--C 1.563 1.447 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 -171.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 118.023 -2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_