data_1ieo_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 1ieo _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 ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.94 -164.91 30.95 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.25 127.16 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.1 t -109.33 43.68 1.26 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.985 -1.462 . . . . 0.0 110.033 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.28 86.55 5.76 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.42 44.8 0.09 OUTLIER Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -159.39 -69.62 0.08 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 114.511 -0.844 . . . . 0.0 109.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -167.1 -47.42 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -86.15 90.7 8.21 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 114.271 -1.331 . . . . 0.0 109.109 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 m -89.17 90.54 8.41 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 122.714 1.245 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 103.902 -2.629 . . . . 0.0 103.902 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.92 -164.25 22.89 Favored Glycine 0 N--CA 1.496 2.682 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -79.41 169.11 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 t -152.34 44.92 0.72 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 15.5 t -91.11 137.21 32.54 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.42 -69.63 0.02 OUTLIER Glycine 0 N--CA 1.492 2.377 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -169.04 -56.41 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 114.674 -0.763 . . . . 0.0 109.644 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -82.61 -7.67 59.64 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.944 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -155.84 124.85 6.1 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 43.8 m -145.83 86.93 1.74 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 122.446 1.117 . . . . 0.0 111.465 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 . . . . . 0 N--CA 1.502 2.144 0 CA-C-N 112.022 -2.354 . . . . 0.0 106.05 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.63 -160.64 4.38 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -78.49 151.43 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t -136.58 42.52 2.5 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.812 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 8.7 t -79.98 84.09 5.78 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.676 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.42 139.5 3.11 Favored Glycine 0 N--CA 1.492 2.371 0 CA-C-N 113.017 -1.901 . . . . 0.0 108.561 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 t80 65.17 -12.21 0.14 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -160.6 62.65 0.31 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.6 mt 54.59 -160.58 0.16 Allowed 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.4 m -130.6 93.37 3.42 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 122.56 1.171 . . . . 0.0 111.711 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.1 m80 . . . . . 0 N--CA 1.498 1.956 0 CA-C-N 112.006 -2.361 . . . . 0.0 106.226 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.85 -164.53 49.33 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.83 171.85 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 t -160.01 28.27 0.18 Allowed 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 121.604 0.716 . . . . 0.0 109.348 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.8 t -87.92 84.3 7.01 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.993 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.18 -29.34 0.11 Allowed Glycine 0 N--CA 1.495 2.587 0 CA-C-N 113.813 -1.539 . . . . 0.0 110.527 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -71.69 -62.4 1.43 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 123.887 0.404 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -163.2 -60.87 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.5 tp -98.72 134.84 41.06 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 m -88.72 -177.58 5.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.107 0.879 . . . . 0.0 113.234 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 . . . . . 0 N--CA 1.507 2.389 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 -179.85 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.09 -160.58 21.88 Favored Glycine 0 N--CA 1.496 2.699 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.394 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.46 167.09 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 CA-C-N 114.37 -0.915 . . . . 0.0 108.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -154.33 81.18 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 2.5 t -102.05 160.36 14.57 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.14 134.74 3.77 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 107.226 -2.35 . . . . 0.0 107.226 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 t80 63.02 -78.89 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.114 0 O-C-N 124.88 0.988 . . . . 0.0 111.356 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -147.4 -39.6 0.19 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.6 tp -74.01 130.67 40.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 123.971 0.794 . . . . 0.0 109.424 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.6 m -114.69 158.48 21.72 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 124.26 0.975 . . . . 0.0 112.268 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m80 . . . . . 0 N--CA 1.501 2.084 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.881 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 64.5 t . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.56 -166.54 54.82 Favored Glycine 0 N--CA 1.498 2.783 0 N-CA-C 105.911 -2.876 . . . . 0.0 105.911 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -78.69 133.82 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 118.205 -1.398 . . . . 0.0 107.632 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.2 t -128.05 64.44 1.39 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 113.591 -1.641 . . . . 0.0 107.996 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t -95.8 102.42 14.21 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 114.328 -1.306 . . . . 0.0 110.389 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.88 -128.29 0.98 Allowed Glycine 0 N--CA 1.493 2.482 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -81.07 24.78 0.5 Allowed 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -153.23 60.54 0.77 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.9 mt 57.86 -168.29 0.13 Allowed 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 113.635 -1.62 . . . . 0.0 110.804 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.3 m -138.52 92.11 2.6 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.539 1.161 . . . . 0.0 111.805 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 . . . . . 0 N--CA 1.495 1.808 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.3 -164.3 52.39 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 108.38 -1.888 . . . . 0.0 108.38 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 p -79.52 167.91 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 t -155.18 49.28 0.56 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 7.0 t -79.77 128.53 33.53 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.697 -0.801 . . . . 0.0 113.027 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.74 155.11 7.05 Favored Glycine 0 N--CA 1.493 2.444 0 CA-C-N 113.495 -1.684 . . . . 0.0 108.984 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.41 ' C ' ' H ' ' A' ' 9' ' ' LEU . 86.0 m-85 56.2 33.32 21.89 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 123.957 0.445 . . . . 0.0 112.06 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.1 tttt 76.63 -14.95 0.77 Allowed 'General case' 0 N--CA 1.506 2.337 0 C-N-CA 124.816 1.246 . . . . 0.0 110.645 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 7' ' ' TYR . 50.2 tp -88.61 110.34 20.84 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.5 m -136.03 89.0 2.44 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 122.92 1.343 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.0 m80 . . . . . 0 N--CA 1.498 1.947 0 CA-C-N 111.414 -2.63 . . . . 0.0 105.796 -179.889 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.23 -158.49 53.33 Favored Glycine 0 N--CA 1.497 2.739 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -79.21 167.93 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 CA-C-N 114.248 -0.976 . . . . 0.0 108.923 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 t -153.97 57.68 0.73 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.35 130.64 35.12 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.85 51.57 0.08 OUTLIER Glycine 0 N--CA 1.497 2.728 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -164.52 -73.65 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 114.609 -0.795 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -161.63 -47.23 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.14 149.21 25.44 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.148 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.0 m -96.98 153.12 18.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.743 0.652 . . . . 0.0 109.983 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m80 . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.73 -168.38 54.66 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 106.815 -2.514 . . . . 0.0 106.815 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -78.19 127.0 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.4 t -114.48 55.41 0.74 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 112.962 -1.926 . . . . 0.0 107.591 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.6 t -90.01 109.6 20.63 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.647 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.38 -167.03 39.66 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 61.68 -79.15 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.137 0 O-C-N 124.29 0.641 . . . . 0.0 111.837 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -148.02 -35.33 0.22 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 123.619 0.574 . . . . 0.0 110.332 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.3 mt -115.04 171.59 7.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 123.93 0.769 . . . . 0.0 112.361 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.5 m -143.86 103.94 4.1 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.883 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.64 -159.56 3.87 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.15 161.8 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 t -149.54 58.77 1.01 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.3 143.57 32.14 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.66 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.32 -59.99 1.87 Allowed Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -159.65 -24.84 0.07 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 114.309 -0.946 . . . . 0.0 110.058 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.53 -66.8 0.38 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 105.208 -2.145 . . . . 0.0 105.208 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -61.28 124.19 19.88 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.737 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.1 m -123.48 148.36 46.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 123.99 0.806 . . . . 0.0 112.013 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.8 m80 . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.24 -162.87 27.4 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.14 171.91 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.7 t -160.08 40.13 0.18 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -79.89 156.96 27.07 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.286 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.9 -168.13 33.96 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 107.007 -2.437 . . . . 0.0 107.007 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 65.06 -78.51 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 O-C-N 124.085 0.52 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -163.87 10.37 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.602 0.564 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -162.04 175.78 11.42 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 123.6 0.563 . . . . 0.0 110.647 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 53.9 m -150.17 -174.54 4.76 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 . . . . . 0 N--CA 1.504 2.249 0 N-CA-C 104.508 -2.405 . . . . 0.0 104.508 -179.757 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.05 -159.66 3.35 Favored Glycine 0 N--CA 1.496 2.679 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.101 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -79.13 149.61 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.6 t -127.14 49.34 2.09 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.5 t -102.39 94.91 5.94 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.935 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.38 -71.39 1.31 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 108.214 -1.954 . . . . 0.0 108.214 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -163.7 -40.26 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.642 -0.779 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.37 -36.4 8.04 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 124.044 0.84 . . . . 0.0 110.516 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.4 tp -106.41 129.85 54.32 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.3 m -149.45 101.77 3.13 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 . . . . . 0 N--CA 1.501 2.089 0 CA-C-N 113.558 -1.655 . . . . 0.0 106.547 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.91 -162.26 6.64 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -79.68 169.61 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 t -158.2 38.72 0.25 Allowed 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 3.4 t -89.58 79.49 6.84 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.351 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.54 -86.14 0.92 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -157.59 -26.9 0.09 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.168 0.569 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -83.87 -46.33 12.26 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -140.81 179.04 6.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 124.441 1.088 . . . . 0.0 110.358 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.3 m -149.85 -171.01 3.79 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 . . . . . 0 N--CA 1.506 2.367 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.58 -161.63 35.04 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 110.279 -1.129 . . . . 0.0 110.279 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 p -79.8 170.1 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.8 t -156.22 43.38 0.4 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 10.7 t -81.1 136.82 35.97 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.69 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.84 -17.74 41.5 Favored Glycine 0 N--CA 1.495 2.603 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.44 ' C ' ' H ' ' A' ' 9' ' ' LEU . 66.0 t80 -89.32 53.23 2.57 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm 67.37 -4.29 0.91 Allowed 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.601 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 7' ' ' TYR . 96.0 mt -148.97 166.43 28.64 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 51.3 m -143.22 83.59 1.79 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 123.051 1.405 . . . . 0.0 110.473 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 . . . . . 0 N--CA 1.498 1.927 0 CA-C-N 111.117 -2.765 . . . . 0.0 105.419 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.08 -159.85 52.74 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.09 164.42 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.7 t -146.08 47.97 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 8.6 t -93.77 99.27 11.69 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.46 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.42 156.44 27.12 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 63.36 -79.48 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 O-C-N 124.859 0.976 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -150.75 -28.02 0.21 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 123.759 0.662 . . . . 0.0 109.72 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.8 mt -83.62 135.78 34.48 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.707 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.5 m -143.27 101.66 3.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.291 0.994 . . . . 0.0 109.524 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 . . . . . 0 N--CA 1.499 1.988 0 CA-C-N 113.203 -1.817 . . . . 0.0 107.218 -179.745 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.16 0.505 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.56 -160.77 10.85 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.66 139.34 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.9 t -133.03 86.49 2.31 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 113.734 -1.575 . . . . 0.0 106.951 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t -120.07 131.66 55.17 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.777 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.04 47.95 0.23 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 64.81 138.27 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 O-C-N 124.906 1.003 . . . . 0.0 112.738 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 66.27 0.0 1.58 Allowed 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 114.652 -1.158 . . . . 0.0 112.103 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.0 tp -169.27 107.76 0.42 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -144.62 94.71 2.59 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 122.322 1.058 . . . . 0.0 110.19 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.5 m80 . . . . . 0 N--CA 1.495 1.812 0 CA-C-N 112.498 -2.137 . . . . 0.0 105.368 -179.817 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.9 -160.82 49.97 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 p -79.04 162.49 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 t -144.83 47.39 1.34 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 17.3 t -102.78 144.8 30.66 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.78 -1.1 . . . . 0.0 112.781 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.79 -69.43 0.03 OUTLIER Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -146.88 -49.76 0.19 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 124.484 0.755 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -108.72 -63.11 1.38 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 124.369 1.043 . . . . 0.0 109.437 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.39 112.79 7.8 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.8 m -145.07 99.15 3.28 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 124.414 1.071 . . . . 0.0 111.722 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 . . . . . 0 N--CA 1.501 2.11 0 CA-C-N 113.355 -1.748 . . . . 0.0 106.76 -179.877 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.67 -163.73 46.49 Favored Glycine 0 N--CA 1.497 2.766 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.71 156.38 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.7 t -160.33 77.13 0.62 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 102.984 -2.969 . . . . 0.0 102.984 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.1 t -79.48 138.13 37.45 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 114.02 -1.445 . . . . 0.0 111.711 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.22 -121.39 0.42 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -142.19 27.24 1.77 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 124.118 0.54 . . . . 0.0 109.711 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -154.95 -49.09 0.09 Allowed 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.2 mt -136.61 144.59 44.17 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.099 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.5 m -95.11 143.73 26.31 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.118 0.887 . . . . 0.0 112.002 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 . . . . . 0 N--CA 1.499 1.989 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.65 -167.1 29.91 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 p -79.5 167.33 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 t -147.32 45.5 1.14 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 9.7 t -89.2 90.58 8.43 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.374 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.87 -107.94 0.96 Allowed Glycine 0 N--CA 1.494 2.523 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.134 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -84.18 -63.43 1.34 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.101 0.53 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -123.56 -34.3 3.08 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 124.441 1.088 . . . . 0.0 110.247 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -69.34 113.11 6.36 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 74.4 m -139.37 94.88 2.84 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 124.265 0.978 . . . . 0.0 112.006 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 . . . . . 0 N--CA 1.501 2.103 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.617 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.24 -157.82 2.76 Favored Glycine 0 N--CA 1.495 2.623 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 p -78.92 164.79 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-N 114.213 -0.993 . . . . 0.0 108.996 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 t -143.81 45.63 1.47 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 14.0 t -98.3 84.26 3.2 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.378 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.77 -81.21 0.54 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -145.91 -39.26 0.23 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 124.391 0.701 . . . . 0.0 109.823 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.555 ' H ' ' HZ1' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -97.18 -72.5 0.64 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 124.145 0.903 . . . . 0.0 109.209 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.18 144.91 32.6 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 123.783 0.677 . . . . 0.0 110.76 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.9 m -147.9 98.3 2.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 124.67 1.231 . . . . 0.0 109.551 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 . . . . . 0 N--CA 1.5 2.042 0 CA-C-N 113.172 -1.831 . . . . 0.0 107.552 -179.777 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.94 -164.91 30.95 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.25 127.16 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.1 t -109.33 43.68 1.26 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.985 -1.462 . . . . 0.0 110.033 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.28 86.55 5.76 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.42 44.8 0.09 OUTLIER Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -159.39 -69.62 0.08 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 114.511 -0.844 . . . . 0.0 109.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -167.1 -47.42 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -86.15 90.7 8.21 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 114.271 -1.331 . . . . 0.0 109.109 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 m -89.17 90.54 8.41 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 122.714 1.245 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -152.79 -128.77 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 103.902 -2.629 . . . . 0.0 103.902 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.0 m 53.83 21.19 2.63 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.168 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 118.995 -2.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.92 -164.25 22.89 Favored Glycine 0 N--CA 1.496 2.682 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -79.41 169.11 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 t -152.34 44.92 0.72 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 15.5 t -91.11 137.21 32.54 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.42 -69.63 0.02 OUTLIER Glycine 0 N--CA 1.492 2.377 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -169.04 -56.41 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 114.674 -0.763 . . . . 0.0 109.644 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -82.61 -7.67 59.64 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.944 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -155.84 124.85 6.1 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 43.8 m -145.83 86.93 1.74 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 122.446 1.117 . . . . 0.0 111.465 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -153.59 -146.76 0.2 Allowed 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 112.022 -2.354 . . . . 0.0 106.05 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 66.6 m 63.12 11.45 5.25 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.395 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 118.915 -2.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.63 -160.64 4.38 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -78.49 151.43 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t -136.58 42.52 2.5 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.812 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 8.7 t -79.98 84.09 5.78 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.676 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.42 139.5 3.11 Favored Glycine 0 N--CA 1.492 2.371 0 CA-C-N 113.017 -1.901 . . . . 0.0 108.561 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 t80 65.17 -12.21 0.14 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -160.6 62.65 0.31 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.6 mt 54.59 -160.58 0.16 Allowed 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.4 m -130.6 93.37 3.42 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 122.56 1.171 . . . . 0.0 111.711 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.423 ' HB3' ' CD ' ' A' ' 12' ' ' HYP . 53.1 m80 -149.11 -139.62 0.1 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 112.006 -2.361 . . . . 0.0 106.226 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.423 ' CD ' ' HB3' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.5 m 56.85 30.15 17.35 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.49 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.069 -2.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.85 -164.53 49.33 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.83 171.85 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 10.1 t -160.01 28.27 0.18 Allowed 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 121.604 0.716 . . . . 0.0 109.348 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.8 t -87.92 84.3 7.01 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.993 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.18 -29.34 0.11 Allowed Glycine 0 N--CA 1.495 2.587 0 CA-C-N 113.813 -1.539 . . . . 0.0 110.527 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -71.69 -62.4 1.43 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 123.887 0.404 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -163.2 -60.87 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.5 tp -98.72 134.84 41.06 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 m -88.72 -177.58 5.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.107 0.879 . . . . 0.0 113.234 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 81.88 -149.52 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.389 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 64.4 m 51.94 42.69 30.41 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 113.509 -1.678 . . . . 0.0 109.951 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 119.402 -2.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.09 -160.58 21.88 Favored Glycine 0 N--CA 1.496 2.699 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.394 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.46 167.09 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 CA-C-N 114.37 -0.915 . . . . 0.0 108.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -154.33 81.18 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 2.5 t -102.05 160.36 14.57 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.14 134.74 3.77 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 107.226 -2.35 . . . . 0.0 107.226 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 t80 63.02 -78.89 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.114 0 O-C-N 124.88 0.988 . . . . 0.0 111.356 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -147.4 -39.6 0.19 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.6 tp -74.01 130.67 40.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 123.971 0.794 . . . . 0.0 109.424 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.6 m -114.69 158.48 21.72 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 124.26 0.975 . . . . 0.0 112.268 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -147.87 -155.13 0.6 Allowed 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.7 m 68.15 5.13 4.46 Favored 'General case' 0 N--CA 1.501 2.125 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.319 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.272 0 O-C-N 118.887 -2.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 64.5 t . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.56 -166.54 54.82 Favored Glycine 0 N--CA 1.498 2.783 0 N-CA-C 105.911 -2.876 . . . . 0.0 105.911 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -78.69 133.82 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 118.205 -1.398 . . . . 0.0 107.632 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.2 t -128.05 64.44 1.39 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 113.591 -1.641 . . . . 0.0 107.996 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t -95.8 102.42 14.21 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 114.328 -1.306 . . . . 0.0 110.389 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.88 -128.29 0.98 Allowed Glycine 0 N--CA 1.493 2.482 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -81.07 24.78 0.5 Allowed 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -153.23 60.54 0.77 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.9 mt 57.86 -168.29 0.13 Allowed 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 113.635 -1.62 . . . . 0.0 110.804 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.3 m -138.52 92.11 2.6 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.539 1.161 . . . . 0.0 111.805 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -148.4 -134.61 0.07 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.9 m 47.63 29.7 1.54 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-O 122.432 1.11 . . . . 0.0 112.558 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.145 -2.222 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.3 -164.3 52.39 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 108.38 -1.888 . . . . 0.0 108.38 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 p -79.52 167.91 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 t -155.18 49.28 0.56 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 7.0 t -79.77 128.53 33.53 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.697 -0.801 . . . . 0.0 113.027 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.74 155.11 7.05 Favored Glycine 0 N--CA 1.493 2.444 0 CA-C-N 113.495 -1.684 . . . . 0.0 108.984 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.41 ' C ' ' H ' ' A' ' 9' ' ' LEU . 86.0 m-85 56.2 33.32 21.89 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 123.957 0.445 . . . . 0.0 112.06 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.1 tttt 76.63 -14.95 0.77 Allowed 'General case' 0 N--CA 1.506 2.337 0 C-N-CA 124.816 1.246 . . . . 0.0 110.645 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 7' ' ' TYR . 50.2 tp -88.61 110.34 20.84 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.5 m -136.03 89.0 2.44 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 122.92 1.343 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -152.73 -150.62 0.34 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 111.414 -2.63 . . . . 0.0 105.796 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.2 m 58.07 18.45 5.21 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.528 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 118.997 -2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.23 -158.49 53.33 Favored Glycine 0 N--CA 1.497 2.739 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -79.21 167.93 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 CA-C-N 114.248 -0.976 . . . . 0.0 108.923 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 t -153.97 57.68 0.73 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.35 130.64 35.12 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.85 51.57 0.08 OUTLIER Glycine 0 N--CA 1.497 2.728 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -164.52 -73.65 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 114.609 -0.795 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -161.63 -47.23 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.14 149.21 25.44 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.148 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.0 m -96.98 153.12 18.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.743 0.652 . . . . 0.0 109.983 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -142.69 -153.96 0.49 Allowed 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 60.9 m 67.57 4.42 3.84 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 114.033 -1.439 . . . . 0.0 110.757 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 118.916 -2.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.73 -168.38 54.66 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 106.815 -2.514 . . . . 0.0 106.815 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -78.19 127.0 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.4 t -114.48 55.41 0.74 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 112.962 -1.926 . . . . 0.0 107.591 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.6 t -90.01 109.6 20.63 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.647 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.38 -167.03 39.66 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 61.68 -79.15 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.137 0 O-C-N 124.29 0.641 . . . . 0.0 111.837 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -148.02 -35.33 0.22 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 123.619 0.574 . . . . 0.0 110.332 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.3 mt -115.04 171.59 7.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 123.93 0.769 . . . . 0.0 112.361 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.5 m -143.86 103.94 4.1 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.883 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -146.75 -138.01 0.09 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.6 m 41.58 43.67 2.38 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.092 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.394 -2.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.64 -159.56 3.87 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.15 161.8 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 2.1 t -149.54 58.77 1.01 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.3 143.57 32.14 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.66 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.32 -59.99 1.87 Allowed Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -159.65 -24.84 0.07 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 114.309 -0.946 . . . . 0.0 110.058 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.53 -66.8 0.38 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 105.208 -2.145 . . . . 0.0 105.208 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -61.28 124.19 19.88 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.737 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.1 m -123.48 148.36 46.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 123.99 0.806 . . . . 0.0 112.013 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -150.68 -157.6 0.83 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 75.8 m 51.11 26.3 2.77 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 113.747 -1.569 . . . . 0.0 111.691 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 118.986 -2.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.24 -162.87 27.4 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.14 171.91 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.4 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 34.7 t -160.08 40.13 0.18 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -79.89 156.96 27.07 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.286 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.9 -168.13 33.96 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 107.007 -2.437 . . . . 0.0 107.007 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 65.06 -78.51 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 O-C-N 124.085 0.52 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -163.87 10.37 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.602 0.564 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -162.04 175.78 11.42 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 123.6 0.563 . . . . 0.0 110.647 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 53.9 m -150.17 -174.54 4.76 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 78.44 -145.8 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 104.508 -2.405 . . . . 0.0 104.508 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.4 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 64.1 m 62.79 25.27 15.01 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.236 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 119.063 -2.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.05 -159.66 3.35 Favored Glycine 0 N--CA 1.496 2.679 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.101 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -79.13 149.61 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.6 t -127.14 49.34 2.09 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.5 t -102.39 94.91 5.94 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.935 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.38 -71.39 1.31 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 108.214 -1.954 . . . . 0.0 108.214 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -163.7 -40.26 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.642 -0.779 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.37 -36.4 8.04 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 124.044 0.84 . . . . 0.0 110.516 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.4 tp -106.41 129.85 54.32 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.3 m -149.45 101.77 3.13 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -152.65 -139.0 0.08 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 113.558 -1.655 . . . . 0.0 106.547 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.6 m 67.02 8.46 6.15 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 113.632 -1.622 . . . . 0.0 110.638 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 118.873 -2.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.91 -162.26 6.64 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -79.68 169.61 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 t -158.2 38.72 0.25 Allowed 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 3.4 t -89.58 79.49 6.84 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.351 -179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.54 -86.14 0.92 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -157.59 -26.9 0.09 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.168 0.569 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -83.87 -46.33 12.26 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -140.81 179.04 6.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 124.441 1.088 . . . . 0.0 110.358 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 41.3 m -149.85 -171.01 3.79 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 79.46 -155.95 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 86.2 m 46.3 41.99 9.75 Favored 'General case' 0 N--CA 1.5 2.035 0 CA-C-N 112.916 -1.947 . . . . 0.0 110.981 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.637 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.58 -161.63 35.04 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 110.279 -1.129 . . . . 0.0 110.279 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 p -79.8 170.1 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.8 t -156.22 43.38 0.4 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 10.7 t -81.1 136.82 35.97 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.69 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.84 -17.74 41.5 Favored Glycine 0 N--CA 1.495 2.603 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.44 ' C ' ' H ' ' A' ' 9' ' ' LEU . 66.0 t80 -89.32 53.23 2.57 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm 67.37 -4.29 0.91 Allowed 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.601 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 7' ' ' TYR . 96.0 mt -148.97 166.43 28.64 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 51.3 m -143.22 83.59 1.79 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 123.051 1.405 . . . . 0.0 110.473 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -149.45 -144.01 0.15 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 111.117 -2.765 . . . . 0.0 105.419 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.9 m 75.5 -12.02 1.03 Allowed 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 113.502 -1.681 . . . . 0.0 111.037 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 118.893 -2.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.08 -159.85 52.74 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.09 164.42 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.7 t -146.08 47.97 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 8.6 t -93.77 99.27 11.69 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.46 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.42 156.44 27.12 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 63.36 -79.48 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 O-C-N 124.859 0.976 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -150.75 -28.02 0.21 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 123.759 0.662 . . . . 0.0 109.72 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.8 mt -83.62 135.78 34.48 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.707 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.5 m -143.27 101.66 3.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.291 0.994 . . . . 0.0 109.524 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -148.06 -147.45 0.22 Allowed 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 113.203 -1.817 . . . . 0.0 107.218 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 68.4 m 62.93 16.22 9.01 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 113.527 -1.669 . . . . 0.0 110.605 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.279 0 O-C-N 119.011 -2.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.16 0.505 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.56 -160.77 10.85 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.66 139.34 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.9 t -133.03 86.49 2.31 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 113.734 -1.575 . . . . 0.0 106.951 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t -120.07 131.66 55.17 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.777 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.04 47.95 0.23 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 64.81 138.27 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 O-C-N 124.906 1.003 . . . . 0.0 112.738 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 66.27 0.0 1.58 Allowed 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 114.652 -1.158 . . . . 0.0 112.103 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.0 tp -169.27 107.76 0.42 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -144.62 94.71 2.59 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 122.322 1.058 . . . . 0.0 110.19 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -150.22 -130.05 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 112.498 -2.137 . . . . 0.0 105.368 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 m 53.64 26.64 5.97 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.362 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.257 -2.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.9 -160.82 49.97 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 p -79.04 162.49 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 t -144.83 47.39 1.34 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 17.3 t -102.78 144.8 30.66 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.78 -1.1 . . . . 0.0 112.781 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.79 -69.43 0.03 OUTLIER Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -146.88 -49.76 0.19 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 124.484 0.755 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -108.72 -63.11 1.38 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 124.369 1.043 . . . . 0.0 109.437 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.39 112.79 7.8 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.8 m -145.07 99.15 3.28 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 124.414 1.071 . . . . 0.0 111.722 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -152.06 -146.46 0.2 Allowed 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 113.355 -1.748 . . . . 0.0 106.76 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 65.0 m 63.75 14.73 8.47 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.556 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.278 0 O-C-N 118.946 -2.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.67 -163.73 46.49 Favored Glycine 0 N--CA 1.497 2.766 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.71 156.38 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.7 t -160.33 77.13 0.62 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 102.984 -2.969 . . . . 0.0 102.984 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.1 t -79.48 138.13 37.45 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 114.02 -1.445 . . . . 0.0 111.711 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.22 -121.39 0.42 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -142.19 27.24 1.77 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 124.118 0.54 . . . . 0.0 109.711 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -154.95 -49.09 0.09 Allowed 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.2 mt -136.61 144.59 44.17 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.099 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.5 m -95.11 143.73 26.31 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.118 0.887 . . . . 0.0 112.002 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -148.15 -154.33 0.55 Allowed 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 m 46.52 38.87 5.96 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 113.779 -1.555 . . . . 0.0 111.68 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.519 -1.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.65 -167.1 29.91 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 p -79.5 167.33 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 t -147.32 45.5 1.14 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 9.7 t -89.2 90.58 8.43 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.374 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.87 -107.94 0.96 Allowed Glycine 0 N--CA 1.494 2.523 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.134 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -84.18 -63.43 1.34 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.101 0.53 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -123.56 -34.3 3.08 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 124.441 1.088 . . . . 0.0 110.247 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -69.34 113.11 6.36 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 74.4 m -139.37 94.88 2.84 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 124.265 0.978 . . . . 0.0 112.006 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -148.67 -145.88 0.18 Allowed 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.617 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.2 m 64.07 15.15 9.06 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 113.971 -1.468 . . . . 0.0 110.666 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 118.98 -2.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.24 -157.82 2.76 Favored Glycine 0 N--CA 1.495 2.623 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 p -78.92 164.79 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-N 114.213 -0.993 . . . . 0.0 108.996 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 t -143.81 45.63 1.47 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 14.0 t -98.3 84.26 3.2 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.378 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.77 -81.21 0.54 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -145.91 -39.26 0.23 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 124.391 0.701 . . . . 0.0 109.823 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.555 ' H ' ' HZ1' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -97.18 -72.5 0.64 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 124.145 0.903 . . . . 0.0 109.209 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.18 144.91 32.6 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 123.783 0.677 . . . . 0.0 110.76 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.9 m -147.9 98.3 2.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 124.67 1.231 . . . . 0.0 109.551 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -148.6 -147.53 0.23 Allowed 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 113.172 -1.831 . . . . 0.0 107.552 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 68.6 m 63.69 15.52 9.02 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-N 113.755 -1.566 . . . . 0.0 110.517 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.004 -2.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.94 -164.91 30.95 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.25 127.16 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.1 t -109.33 43.68 1.26 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.985 -1.462 . . . . 0.0 110.033 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.28 86.55 5.76 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.42 44.8 0.09 OUTLIER Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -159.39 -69.62 0.08 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 114.511 -0.844 . . . . 0.0 109.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -167.1 -47.42 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -86.15 90.7 8.21 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 114.271 -1.331 . . . . 0.0 109.109 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 m -89.17 90.54 8.41 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 122.714 1.245 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 103.902 -2.629 . . . . 0.0 103.902 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.92 -164.25 22.89 Favored Glycine 0 N--CA 1.496 2.682 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -79.41 169.11 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 t -152.34 44.92 0.72 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 15.5 t -91.11 137.21 32.54 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.42 -69.63 0.02 OUTLIER Glycine 0 N--CA 1.492 2.377 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -169.04 -56.41 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 114.674 -0.763 . . . . 0.0 109.644 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -82.61 -7.67 59.64 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.944 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 10' ' ' CYS . 1.5 tm? -155.84 124.85 6.1 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 43.8 m -145.83 86.93 1.74 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 122.446 1.117 . . . . 0.0 111.465 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 . . . . . 0 N--CA 1.502 2.144 0 CA-C-N 112.022 -2.354 . . . . 0.0 106.05 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.63 -160.64 4.38 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -78.49 151.43 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t -136.58 42.52 2.5 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.812 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 8.7 t -79.98 84.09 5.78 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.676 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.42 139.5 3.11 Favored Glycine 0 N--CA 1.492 2.371 0 CA-C-N 113.017 -1.901 . . . . 0.0 108.561 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 t80 65.17 -12.21 0.14 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -160.6 62.65 0.31 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.6 mt 54.59 -160.58 0.16 Allowed 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.4 m -130.6 93.37 3.42 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 122.56 1.171 . . . . 0.0 111.711 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.1 m80 . . . . . 0 N--CA 1.498 1.956 0 CA-C-N 112.006 -2.361 . . . . 0.0 106.226 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.85 -164.53 49.33 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 5' ' ' CYS . 10.7 p -79.83 171.85 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 t -160.01 28.27 0.18 Allowed 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 121.604 0.716 . . . . 0.0 109.348 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.418 ' H ' HG22 ' A' ' 3' ' ' VAL . 4.8 t -87.92 84.3 7.01 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.993 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.18 -29.34 0.11 Allowed Glycine 0 N--CA 1.495 2.587 0 CA-C-N 113.813 -1.539 . . . . 0.0 110.527 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -71.69 -62.4 1.43 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 123.887 0.404 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -163.2 -60.87 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.5 tp -98.72 134.84 41.06 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 m -88.72 -177.58 5.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.107 0.879 . . . . 0.0 113.234 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 . . . . . 0 N--CA 1.507 2.389 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 -179.85 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.09 -160.58 21.88 Favored Glycine 0 N--CA 1.496 2.699 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.394 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.46 167.09 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 CA-C-N 114.37 -0.915 . . . . 0.0 108.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -154.33 81.18 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -102.05 160.36 14.57 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.14 134.74 3.77 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 107.226 -2.35 . . . . 0.0 107.226 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 t80 63.02 -78.89 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.114 0 O-C-N 124.88 0.988 . . . . 0.0 111.356 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -147.4 -39.6 0.19 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.6 tp -74.01 130.67 40.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 123.971 0.794 . . . . 0.0 109.424 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.6 m -114.69 158.48 21.72 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 124.26 0.975 . . . . 0.0 112.268 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m80 . . . . . 0 N--CA 1.501 2.084 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.881 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 64.5 t . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.56 -166.54 54.82 Favored Glycine 0 N--CA 1.498 2.783 0 N-CA-C 105.911 -2.876 . . . . 0.0 105.911 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -78.69 133.82 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 118.205 -1.398 . . . . 0.0 107.632 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.2 t -128.05 64.44 1.39 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 113.591 -1.641 . . . . 0.0 107.996 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t -95.8 102.42 14.21 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 114.328 -1.306 . . . . 0.0 110.389 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.88 -128.29 0.98 Allowed Glycine 0 N--CA 1.493 2.482 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -81.07 24.78 0.5 Allowed 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -153.23 60.54 0.77 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.9 mt 57.86 -168.29 0.13 Allowed 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 113.635 -1.62 . . . . 0.0 110.804 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.3 m -138.52 92.11 2.6 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.539 1.161 . . . . 0.0 111.805 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 . . . . . 0 N--CA 1.495 1.808 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.3 -164.3 52.39 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 108.38 -1.888 . . . . 0.0 108.38 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 p -79.52 167.91 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 t -155.18 49.28 0.56 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 7.0 t -79.77 128.53 33.53 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.697 -0.801 . . . . 0.0 113.027 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.74 155.11 7.05 Favored Glycine 0 N--CA 1.493 2.444 0 CA-C-N 113.495 -1.684 . . . . 0.0 108.984 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 56.2 33.32 21.89 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 123.957 0.445 . . . . 0.0 112.06 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.1 tttt 76.63 -14.95 0.77 Allowed 'General case' 0 N--CA 1.506 2.337 0 C-N-CA 124.816 1.246 . . . . 0.0 110.645 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.2 tp -88.61 110.34 20.84 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.5 m -136.03 89.0 2.44 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 122.92 1.343 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.0 m80 . . . . . 0 N--CA 1.498 1.947 0 CA-C-N 111.414 -2.63 . . . . 0.0 105.796 -179.889 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.23 -158.49 53.33 Favored Glycine 0 N--CA 1.497 2.739 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -79.21 167.93 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 CA-C-N 114.248 -0.976 . . . . 0.0 108.923 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 t -153.97 57.68 0.73 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.35 130.64 35.12 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.85 51.57 0.08 OUTLIER Glycine 0 N--CA 1.497 2.728 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -164.52 -73.65 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 114.609 -0.795 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -161.63 -47.23 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.14 149.21 25.44 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.148 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.0 m -96.98 153.12 18.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.743 0.652 . . . . 0.0 109.983 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m80 . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.73 -168.38 54.66 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 106.815 -2.514 . . . . 0.0 106.815 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -78.19 127.0 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.4 t -114.48 55.41 0.74 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 112.962 -1.926 . . . . 0.0 107.591 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.6 t -90.01 109.6 20.63 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.647 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.38 -167.03 39.66 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 61.68 -79.15 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.137 0 O-C-N 124.29 0.641 . . . . 0.0 111.837 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -148.02 -35.33 0.22 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 123.619 0.574 . . . . 0.0 110.332 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.3 mt -115.04 171.59 7.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 123.93 0.769 . . . . 0.0 112.361 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.5 m -143.86 103.94 4.1 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.883 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.64 -159.56 3.87 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.15 161.8 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 t -149.54 58.77 1.01 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.3 143.57 32.14 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.66 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.32 -59.99 1.87 Allowed Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' H ' ' H ' ' A' ' 8' ' ' LYS . 47.7 p90 -159.65 -24.84 0.07 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 114.309 -0.946 . . . . 0.0 110.058 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' H ' ' H ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -142.53 -66.8 0.38 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 105.208 -2.145 . . . . 0.0 105.208 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' H ' ' CD2' ' A' ' 9' ' ' LEU . 1.3 pt? -61.28 124.19 19.88 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.737 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.1 m -123.48 148.36 46.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 123.99 0.806 . . . . 0.0 112.013 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.8 m80 . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.24 -162.87 27.4 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 4' ' ' CYS . 44.4 t -81.14 171.91 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.41 ' N ' HG12 ' A' ' 3' ' ' VAL . 34.7 t -160.08 40.13 0.18 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -79.89 156.96 27.07 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.286 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.9 -168.13 33.96 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 107.007 -2.437 . . . . 0.0 107.007 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 65.06 -78.51 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 O-C-N 124.085 0.52 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -163.87 10.37 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.602 0.564 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 9' ' ' LEU . 1.4 pt? -162.04 175.78 11.42 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 123.6 0.563 . . . . 0.0 110.647 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 53.9 m -150.17 -174.54 4.76 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 . . . . . 0 N--CA 1.504 2.249 0 N-CA-C 104.508 -2.405 . . . . 0.0 104.508 -179.757 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.05 -159.66 3.35 Favored Glycine 0 N--CA 1.496 2.679 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.101 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -79.13 149.61 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.6 t -127.14 49.34 2.09 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.5 t -102.39 94.91 5.94 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.935 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.38 -71.39 1.31 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 108.214 -1.954 . . . . 0.0 108.214 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -163.7 -40.26 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.642 -0.779 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -103.37 -36.4 8.04 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 124.044 0.84 . . . . 0.0 110.516 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.4 tp -106.41 129.85 54.32 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.3 m -149.45 101.77 3.13 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 . . . . . 0 N--CA 1.501 2.089 0 CA-C-N 113.558 -1.655 . . . . 0.0 106.547 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.91 -162.26 6.64 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -79.68 169.61 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 t -158.2 38.72 0.25 Allowed 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.58 79.49 6.84 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.351 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.54 -86.14 0.92 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -157.59 -26.9 0.09 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.168 0.569 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -83.87 -46.33 12.26 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 9' ' ' LEU . 2.9 pp -140.81 179.04 6.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 124.441 1.088 . . . . 0.0 110.358 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.3 m -149.85 -171.01 3.79 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 . . . . . 0 N--CA 1.506 2.367 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.58 -161.63 35.04 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 110.279 -1.129 . . . . 0.0 110.279 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 p -79.8 170.1 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.8 t -156.22 43.38 0.4 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 10.7 t -81.1 136.82 35.97 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.69 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.84 -17.74 41.5 Favored Glycine 0 N--CA 1.495 2.603 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.413 ' C ' ' H ' ' A' ' 9' ' ' LEU . 66.0 t80 -89.32 53.23 2.57 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm 67.37 -4.29 0.91 Allowed 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.601 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' H ' ' C ' ' A' ' 7' ' ' TYR . 96.0 mt -148.97 166.43 28.64 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 51.3 m -143.22 83.59 1.79 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 123.051 1.405 . . . . 0.0 110.473 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 . . . . . 0 N--CA 1.498 1.927 0 CA-C-N 111.117 -2.765 . . . . 0.0 105.419 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.08 -159.85 52.74 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.09 164.42 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.7 t -146.08 47.97 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 8.6 t -93.77 99.27 11.69 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.46 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.42 156.44 27.12 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 63.36 -79.48 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 O-C-N 124.859 0.976 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -150.75 -28.02 0.21 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 123.759 0.662 . . . . 0.0 109.72 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.8 mt -83.62 135.78 34.48 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.707 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.5 m -143.27 101.66 3.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.291 0.994 . . . . 0.0 109.524 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 . . . . . 0 N--CA 1.499 1.988 0 CA-C-N 113.203 -1.817 . . . . 0.0 107.218 -179.745 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.16 0.505 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.56 -160.77 10.85 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.66 139.34 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.9 t -133.03 86.49 2.31 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 113.734 -1.575 . . . . 0.0 106.951 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t -120.07 131.66 55.17 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.777 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.04 47.95 0.23 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 64.81 138.27 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 O-C-N 124.906 1.003 . . . . 0.0 112.738 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 66.27 0.0 1.58 Allowed 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 114.652 -1.158 . . . . 0.0 112.103 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.0 tp -169.27 107.76 0.42 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -144.62 94.71 2.59 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 122.322 1.058 . . . . 0.0 110.19 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.5 m80 . . . . . 0 N--CA 1.495 1.812 0 CA-C-N 112.498 -2.137 . . . . 0.0 105.368 -179.817 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.9 -160.82 49.97 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 p -79.04 162.49 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 t -144.83 47.39 1.34 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.3 t -102.78 144.8 30.66 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.78 -1.1 . . . . 0.0 112.781 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.79 -69.43 0.03 OUTLIER Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -146.88 -49.76 0.19 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 124.484 0.755 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -108.72 -63.11 1.38 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 124.369 1.043 . . . . 0.0 109.437 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.39 112.79 7.8 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.8 m -145.07 99.15 3.28 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 124.414 1.071 . . . . 0.0 111.722 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 . . . . . 0 N--CA 1.501 2.11 0 CA-C-N 113.355 -1.748 . . . . 0.0 106.76 -179.877 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.67 -163.73 46.49 Favored Glycine 0 N--CA 1.497 2.766 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.71 156.38 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.7 t -160.33 77.13 0.62 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 102.984 -2.969 . . . . 0.0 102.984 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.1 t -79.48 138.13 37.45 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 114.02 -1.445 . . . . 0.0 111.711 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.22 -121.39 0.42 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -142.19 27.24 1.77 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 124.118 0.54 . . . . 0.0 109.711 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -154.95 -49.09 0.09 Allowed 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.2 mt -136.61 144.59 44.17 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.099 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.5 m -95.11 143.73 26.31 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.118 0.887 . . . . 0.0 112.002 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 . . . . . 0 N--CA 1.499 1.989 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.65 -167.1 29.91 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 p -79.5 167.33 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 t -147.32 45.5 1.14 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.7 t -89.2 90.58 8.43 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.374 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.87 -107.94 0.96 Allowed Glycine 0 N--CA 1.494 2.523 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.134 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -84.18 -63.43 1.34 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.101 0.53 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -123.56 -34.3 3.08 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 124.441 1.088 . . . . 0.0 110.247 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -69.34 113.11 6.36 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.4 m -139.37 94.88 2.84 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 124.265 0.978 . . . . 0.0 112.006 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 . . . . . 0 N--CA 1.501 2.103 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.617 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.24 -157.82 2.76 Favored Glycine 0 N--CA 1.495 2.623 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 p -78.92 164.79 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-N 114.213 -0.993 . . . . 0.0 108.996 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 t -143.81 45.63 1.47 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.0 t -98.3 84.26 3.2 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.378 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.77 -81.21 0.54 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -145.91 -39.26 0.23 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 124.391 0.701 . . . . 0.0 109.823 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.689 ' HZ2' ' H ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -97.18 -72.5 0.64 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 124.145 0.903 . . . . 0.0 109.209 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 9' ' ' LEU . 9.3 mp -80.18 144.91 32.6 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 123.783 0.677 . . . . 0.0 110.76 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.9 m -147.9 98.3 2.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 124.67 1.231 . . . . 0.0 109.551 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 . . . . . 0 N--CA 1.5 2.042 0 CA-C-N 113.172 -1.831 . . . . 0.0 107.552 -179.777 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.94 -164.91 30.95 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.25 127.16 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.1 t -109.33 43.68 1.26 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.985 -1.462 . . . . 0.0 110.033 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.28 86.55 5.76 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.42 44.8 0.09 OUTLIER Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -159.39 -69.62 0.08 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 114.511 -0.844 . . . . 0.0 109.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -167.1 -47.42 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -86.15 90.7 8.21 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 114.271 -1.331 . . . . 0.0 109.109 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 m -89.17 90.54 8.41 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 122.714 1.245 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -152.79 -128.77 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 103.902 -2.629 . . . . 0.0 103.902 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.0 m 53.83 21.19 2.63 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.168 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 118.995 -2.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.92 -164.25 22.89 Favored Glycine 0 N--CA 1.496 2.682 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -79.41 169.11 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 5.1 t -152.34 44.92 0.72 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 15.5 t -91.11 137.21 32.54 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.42 -69.63 0.02 OUTLIER Glycine 0 N--CA 1.492 2.377 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -169.04 -56.41 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 114.674 -0.763 . . . . 0.0 109.644 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -82.61 -7.67 59.64 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.944 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 10' ' ' CYS . 1.5 tm? -155.84 124.85 6.1 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 43.8 m -145.83 86.93 1.74 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 122.446 1.117 . . . . 0.0 111.465 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.429 ' HB3' ' CD ' ' A' ' 12' ' ' HYP . 69.0 m-70 -153.59 -146.76 0.2 Allowed 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 112.022 -2.354 . . . . 0.0 106.05 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.429 ' CD ' ' HB3' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 66.6 m 63.12 11.45 5.25 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.395 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 118.915 -2.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.63 -160.64 4.38 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -78.49 151.43 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 4.2 t -136.58 42.52 2.5 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.812 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 8.7 t -79.98 84.09 5.78 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.676 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.42 139.5 3.11 Favored Glycine 0 N--CA 1.492 2.371 0 CA-C-N 113.017 -1.901 . . . . 0.0 108.561 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 t80 65.17 -12.21 0.14 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -160.6 62.65 0.31 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.6 mt 54.59 -160.58 0.16 Allowed 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.4 m -130.6 93.37 3.42 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 122.56 1.171 . . . . 0.0 111.711 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.491 ' HB3' ' CD ' ' A' ' 12' ' ' HYP . 53.1 m80 -149.11 -139.62 0.1 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 112.006 -2.361 . . . . 0.0 106.226 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.491 ' CD ' ' HB3' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.427 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 64.5 m 56.85 30.15 17.35 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.49 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.069 -2.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.85 -164.53 49.33 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 5' ' ' CYS . 10.7 p -79.83 171.85 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.589 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 10.1 t -160.01 28.27 0.18 Allowed 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 121.604 0.716 . . . . 0.0 109.348 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.418 ' H ' HG22 ' A' ' 3' ' ' VAL . 4.8 t -87.92 84.3 7.01 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.993 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.18 -29.34 0.11 Allowed Glycine 0 N--CA 1.495 2.587 0 CA-C-N 113.813 -1.539 . . . . 0.0 110.527 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -71.69 -62.4 1.43 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 123.887 0.404 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -163.2 -60.87 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.5 tp -98.72 134.84 41.06 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 m -88.72 -177.58 5.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.107 0.879 . . . . 0.0 113.234 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 81.88 -149.52 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.389 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.589 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 64.4 m 51.94 42.69 30.41 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 113.509 -1.678 . . . . 0.0 109.951 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 119.402 -2.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.09 -160.58 21.88 Favored Glycine 0 N--CA 1.496 2.699 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.394 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.46 167.09 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 CA-C-N 114.37 -0.915 . . . . 0.0 108.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -154.33 81.18 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -102.05 160.36 14.57 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.14 134.74 3.77 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 107.226 -2.35 . . . . 0.0 107.226 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 t80 63.02 -78.89 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.114 0 O-C-N 124.88 0.988 . . . . 0.0 111.356 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -147.4 -39.6 0.19 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.6 tp -74.01 130.67 40.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 123.971 0.794 . . . . 0.0 109.424 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.6 m -114.69 158.48 21.72 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 124.26 0.975 . . . . 0.0 112.268 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -147.87 -155.13 0.6 Allowed 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.7 m 68.15 5.13 4.46 Favored 'General case' 0 N--CA 1.501 2.125 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.319 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.272 0 O-C-N 118.887 -2.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 64.5 t . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.56 -166.54 54.82 Favored Glycine 0 N--CA 1.498 2.783 0 N-CA-C 105.911 -2.876 . . . . 0.0 105.911 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -78.69 133.82 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 118.205 -1.398 . . . . 0.0 107.632 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.2 t -128.05 64.44 1.39 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 113.591 -1.641 . . . . 0.0 107.996 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t -95.8 102.42 14.21 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 114.328 -1.306 . . . . 0.0 110.389 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.88 -128.29 0.98 Allowed Glycine 0 N--CA 1.493 2.482 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -81.07 24.78 0.5 Allowed 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -153.23 60.54 0.77 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.9 mt 57.86 -168.29 0.13 Allowed 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 113.635 -1.62 . . . . 0.0 110.804 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.3 m -138.52 92.11 2.6 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.539 1.161 . . . . 0.0 111.805 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -148.4 -134.61 0.07 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.9 m 47.63 29.7 1.54 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-O 122.432 1.11 . . . . 0.0 112.558 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.145 -2.222 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.3 -164.3 52.39 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 108.38 -1.888 . . . . 0.0 108.38 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 p -79.52 167.91 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.479 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 5.4 t -155.18 49.28 0.56 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 7.0 t -79.77 128.53 33.53 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.697 -0.801 . . . . 0.0 113.027 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.74 155.11 7.05 Favored Glycine 0 N--CA 1.493 2.444 0 CA-C-N 113.495 -1.684 . . . . 0.0 108.984 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 56.2 33.32 21.89 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 123.957 0.445 . . . . 0.0 112.06 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.1 tttt 76.63 -14.95 0.77 Allowed 'General case' 0 N--CA 1.506 2.337 0 C-N-CA 124.816 1.246 . . . . 0.0 110.645 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.2 tp -88.61 110.34 20.84 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.5 m -136.03 89.0 2.44 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 122.92 1.343 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -152.73 -150.62 0.34 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 111.414 -2.63 . . . . 0.0 105.796 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.479 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 74.2 m 58.07 18.45 5.21 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.528 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 118.997 -2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.23 -158.49 53.33 Favored Glycine 0 N--CA 1.497 2.739 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -79.21 167.93 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 CA-C-N 114.248 -0.976 . . . . 0.0 108.923 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 t -153.97 57.68 0.73 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.35 130.64 35.12 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.85 51.57 0.08 OUTLIER Glycine 0 N--CA 1.497 2.728 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -164.52 -73.65 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 114.609 -0.795 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -161.63 -47.23 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.14 149.21 25.44 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.148 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.0 m -96.98 153.12 18.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.743 0.652 . . . . 0.0 109.983 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -142.69 -153.96 0.49 Allowed 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 60.9 m 67.57 4.42 3.84 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 114.033 -1.439 . . . . 0.0 110.757 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 118.916 -2.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.73 -168.38 54.66 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 106.815 -2.514 . . . . 0.0 106.815 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -78.19 127.0 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.4 t -114.48 55.41 0.74 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 112.962 -1.926 . . . . 0.0 107.591 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.6 t -90.01 109.6 20.63 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.647 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.38 -167.03 39.66 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 61.68 -79.15 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.137 0 O-C-N 124.29 0.641 . . . . 0.0 111.837 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -148.02 -35.33 0.22 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 123.619 0.574 . . . . 0.0 110.332 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.3 mt -115.04 171.59 7.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 123.93 0.769 . . . . 0.0 112.361 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.5 m -143.86 103.94 4.1 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.883 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -146.75 -138.01 0.09 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.6 m 41.58 43.67 2.38 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.092 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.394 -2.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.64 -159.56 3.87 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.15 161.8 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.458 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 2.1 t -149.54 58.77 1.01 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.3 143.57 32.14 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.66 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.32 -59.99 1.87 Allowed Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' H ' ' H ' ' A' ' 8' ' ' LYS . 47.7 p90 -159.65 -24.84 0.07 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 114.309 -0.946 . . . . 0.0 110.058 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' H ' ' H ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -142.53 -66.8 0.38 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 105.208 -2.145 . . . . 0.0 105.208 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' H ' ' CD2' ' A' ' 9' ' ' LEU . 1.3 pt? -61.28 124.19 19.88 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.737 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.1 m -123.48 148.36 46.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 123.99 0.806 . . . . 0.0 112.013 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -150.68 -157.6 0.83 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.458 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 75.8 m 51.11 26.3 2.77 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 113.747 -1.569 . . . . 0.0 111.691 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 118.986 -2.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.24 -162.87 27.4 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 4' ' ' CYS . 44.4 t -81.14 171.91 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.513 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 34.7 t -160.08 40.13 0.18 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -79.89 156.96 27.07 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.286 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.9 -168.13 33.96 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 107.007 -2.437 . . . . 0.0 107.007 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 65.06 -78.51 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 O-C-N 124.085 0.52 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -163.87 10.37 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.602 0.564 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 9' ' ' LEU . 1.4 pt? -162.04 175.78 11.42 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 123.6 0.563 . . . . 0.0 110.647 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 53.9 m -150.17 -174.54 4.76 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 78.44 -145.8 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 104.508 -2.405 . . . . 0.0 104.508 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.513 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 64.1 m 62.79 25.27 15.01 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.236 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 119.063 -2.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.05 -159.66 3.35 Favored Glycine 0 N--CA 1.496 2.679 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.101 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -79.13 149.61 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.6 t -127.14 49.34 2.09 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.5 t -102.39 94.91 5.94 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.935 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.38 -71.39 1.31 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 108.214 -1.954 . . . . 0.0 108.214 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -163.7 -40.26 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.642 -0.779 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -103.37 -36.4 8.04 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 124.044 0.84 . . . . 0.0 110.516 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.4 tp -106.41 129.85 54.32 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.3 m -149.45 101.77 3.13 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -152.65 -139.0 0.08 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 113.558 -1.655 . . . . 0.0 106.547 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.6 m 67.02 8.46 6.15 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 113.632 -1.622 . . . . 0.0 110.638 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 118.873 -2.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.91 -162.26 6.64 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -79.68 169.61 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.535 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 6.7 t -158.2 38.72 0.25 Allowed 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.58 79.49 6.84 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.351 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.54 -86.14 0.92 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -157.59 -26.9 0.09 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.168 0.569 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -83.87 -46.33 12.26 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 9' ' ' LEU . 2.9 pp -140.81 179.04 6.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 124.441 1.088 . . . . 0.0 110.358 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.3 m -149.85 -171.01 3.79 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 79.46 -155.95 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.535 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 86.2 m 46.3 41.99 9.75 Favored 'General case' 0 N--CA 1.5 2.035 0 CA-C-N 112.916 -1.947 . . . . 0.0 110.981 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.637 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.58 -161.63 35.04 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 110.279 -1.129 . . . . 0.0 110.279 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 p -79.8 170.1 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 13' ' ' CYS . 25.8 t -156.22 43.38 0.4 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 10.7 t -81.1 136.82 35.97 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.69 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.84 -17.74 41.5 Favored Glycine 0 N--CA 1.495 2.603 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' C ' ' H ' ' A' ' 9' ' ' LEU . 66.0 t80 -89.32 53.23 2.57 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm 67.37 -4.29 0.91 Allowed 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.601 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' H ' ' C ' ' A' ' 7' ' ' TYR . 96.0 mt -148.97 166.43 28.64 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 51.3 m -143.22 83.59 1.79 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 123.051 1.405 . . . . 0.0 110.473 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -149.45 -144.01 0.15 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 111.117 -2.765 . . . . 0.0 105.419 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' N ' ' HB3' ' A' ' 4' ' ' CYS . 57.9 m 75.5 -12.02 1.03 Allowed 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 113.502 -1.681 . . . . 0.0 111.037 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 118.893 -2.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.08 -159.85 52.74 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.09 164.42 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.7 t -146.08 47.97 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 8.6 t -93.77 99.27 11.69 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.46 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.42 156.44 27.12 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 63.36 -79.48 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 O-C-N 124.859 0.976 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -150.75 -28.02 0.21 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 123.759 0.662 . . . . 0.0 109.72 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.8 mt -83.62 135.78 34.48 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.707 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.5 m -143.27 101.66 3.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.291 0.994 . . . . 0.0 109.524 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -148.06 -147.45 0.22 Allowed 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 113.203 -1.817 . . . . 0.0 107.218 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 68.4 m 62.93 16.22 9.01 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 113.527 -1.669 . . . . 0.0 110.605 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.279 0 O-C-N 119.011 -2.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.16 0.505 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.56 -160.77 10.85 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.66 139.34 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.9 t -133.03 86.49 2.31 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 113.734 -1.575 . . . . 0.0 106.951 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t -120.07 131.66 55.17 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.777 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.04 47.95 0.23 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 64.81 138.27 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 O-C-N 124.906 1.003 . . . . 0.0 112.738 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 66.27 0.0 1.58 Allowed 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 114.652 -1.158 . . . . 0.0 112.103 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.0 tp -169.27 107.76 0.42 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -144.62 94.71 2.59 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 122.322 1.058 . . . . 0.0 110.19 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -150.22 -130.05 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 112.498 -2.137 . . . . 0.0 105.368 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 m 53.64 26.64 5.97 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.362 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.257 -2.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.9 -160.82 49.97 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 p -79.04 162.49 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 t -144.83 47.39 1.34 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.3 t -102.78 144.8 30.66 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.78 -1.1 . . . . 0.0 112.781 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.79 -69.43 0.03 OUTLIER Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -146.88 -49.76 0.19 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 124.484 0.755 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -108.72 -63.11 1.38 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 124.369 1.043 . . . . 0.0 109.437 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.39 112.79 7.8 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.8 m -145.07 99.15 3.28 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 124.414 1.071 . . . . 0.0 111.722 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -152.06 -146.46 0.2 Allowed 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 113.355 -1.748 . . . . 0.0 106.76 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 65.0 m 63.75 14.73 8.47 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.556 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.278 0 O-C-N 118.946 -2.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.67 -163.73 46.49 Favored Glycine 0 N--CA 1.497 2.766 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.71 156.38 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.7 t -160.33 77.13 0.62 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 102.984 -2.969 . . . . 0.0 102.984 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.1 t -79.48 138.13 37.45 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 114.02 -1.445 . . . . 0.0 111.711 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.22 -121.39 0.42 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -142.19 27.24 1.77 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 124.118 0.54 . . . . 0.0 109.711 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -154.95 -49.09 0.09 Allowed 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.2 mt -136.61 144.59 44.17 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.099 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.5 m -95.11 143.73 26.31 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.118 0.887 . . . . 0.0 112.002 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -148.15 -154.33 0.55 Allowed 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 m 46.52 38.87 5.96 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 113.779 -1.555 . . . . 0.0 111.68 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.519 -1.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.65 -167.1 29.91 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 p -79.5 167.33 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 7.1 t -147.32 45.5 1.14 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.7 t -89.2 90.58 8.43 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.374 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.87 -107.94 0.96 Allowed Glycine 0 N--CA 1.494 2.523 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.134 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -84.18 -63.43 1.34 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.101 0.53 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -123.56 -34.3 3.08 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 124.441 1.088 . . . . 0.0 110.247 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -69.34 113.11 6.36 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.4 m -139.37 94.88 2.84 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 124.265 0.978 . . . . 0.0 112.006 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.419 ' HB3' ' CD ' ' A' ' 12' ' ' HYP . 56.4 m-70 -148.67 -145.88 0.18 Allowed 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.617 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.419 ' CD ' ' HB3' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 64.2 m 64.07 15.15 9.06 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 113.971 -1.468 . . . . 0.0 110.666 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 118.98 -2.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.24 -157.82 2.76 Favored Glycine 0 N--CA 1.495 2.623 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 p -78.92 164.79 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-N 114.213 -0.993 . . . . 0.0 108.996 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 t -143.81 45.63 1.47 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.0 t -98.3 84.26 3.2 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.378 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.77 -81.21 0.54 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -145.91 -39.26 0.23 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 124.391 0.701 . . . . 0.0 109.823 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.689 ' HZ2' ' H ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -97.18 -72.5 0.64 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 124.145 0.903 . . . . 0.0 109.209 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 9' ' ' LEU . 9.3 mp -80.18 144.91 32.6 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 123.783 0.677 . . . . 0.0 110.76 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.9 m -147.9 98.3 2.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 124.67 1.231 . . . . 0.0 109.551 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -148.6 -147.53 0.23 Allowed 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 113.172 -1.831 . . . . 0.0 107.552 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 68.6 m 63.69 15.52 9.02 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-N 113.755 -1.566 . . . . 0.0 110.517 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.004 -2.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.94 -164.91 30.95 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.25 127.16 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.1 t -109.33 43.68 1.26 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.985 -1.462 . . . . 0.0 110.033 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.28 86.55 5.76 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.42 44.8 0.09 OUTLIER Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -159.39 -69.62 0.08 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 114.511 -0.844 . . . . 0.0 109.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -167.1 -47.42 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -86.15 90.7 8.21 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 114.271 -1.331 . . . . 0.0 109.109 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 m -89.17 90.54 8.41 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 122.714 1.245 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 103.902 -2.629 . . . . 0.0 103.902 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.92 -164.25 22.89 Favored Glycine 0 N--CA 1.496 2.682 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -79.41 169.11 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 t -152.34 44.92 0.72 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 15.5 t -91.11 137.21 32.54 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.42 -69.63 0.02 OUTLIER Glycine 0 N--CA 1.492 2.377 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -169.04 -56.41 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 114.674 -0.763 . . . . 0.0 109.644 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -82.61 -7.67 59.64 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.944 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 10' ' ' CYS . 1.5 tm? -155.84 124.85 6.1 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 43.8 m -145.83 86.93 1.74 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 122.446 1.117 . . . . 0.0 111.465 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 . . . . . 0 N--CA 1.502 2.144 0 CA-C-N 112.022 -2.354 . . . . 0.0 106.05 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.63 -160.64 4.38 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -78.49 151.43 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t -136.58 42.52 2.5 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.812 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 8.7 t -79.98 84.09 5.78 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.676 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.42 139.5 3.11 Favored Glycine 0 N--CA 1.492 2.371 0 CA-C-N 113.017 -1.901 . . . . 0.0 108.561 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 t80 65.17 -12.21 0.14 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -160.6 62.65 0.31 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.6 mt 54.59 -160.58 0.16 Allowed 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.4 m -130.6 93.37 3.42 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 122.56 1.171 . . . . 0.0 111.711 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.1 m80 . . . . . 0 N--CA 1.498 1.956 0 CA-C-N 112.006 -2.361 . . . . 0.0 106.226 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.85 -164.53 49.33 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 5' ' ' CYS . 10.7 p -79.83 171.85 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.1 t -160.01 28.27 0.18 Allowed 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 121.604 0.716 . . . . 0.0 109.348 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.418 ' H ' HG22 ' A' ' 3' ' ' VAL . 4.8 t -87.92 84.3 7.01 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.993 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.18 -29.34 0.11 Allowed Glycine 0 N--CA 1.495 2.587 0 CA-C-N 113.813 -1.539 . . . . 0.0 110.527 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -71.69 -62.4 1.43 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 123.887 0.404 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -163.2 -60.87 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.5 tp -98.72 134.84 41.06 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 m -88.72 -177.58 5.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.107 0.879 . . . . 0.0 113.234 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 . . . . . 0 N--CA 1.507 2.389 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 -179.85 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.09 -160.58 21.88 Favored Glycine 0 N--CA 1.496 2.699 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.394 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.46 167.09 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 CA-C-N 114.37 -0.915 . . . . 0.0 108.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -154.33 81.18 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -102.05 160.36 14.57 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.14 134.74 3.77 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 107.226 -2.35 . . . . 0.0 107.226 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 t80 63.02 -78.89 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.114 0 O-C-N 124.88 0.988 . . . . 0.0 111.356 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -147.4 -39.6 0.19 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.6 tp -74.01 130.67 40.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 123.971 0.794 . . . . 0.0 109.424 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.6 m -114.69 158.48 21.72 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 124.26 0.975 . . . . 0.0 112.268 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m80 . . . . . 0 N--CA 1.501 2.084 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.881 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 64.5 t . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.56 -166.54 54.82 Favored Glycine 0 N--CA 1.498 2.783 0 N-CA-C 105.911 -2.876 . . . . 0.0 105.911 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -78.69 133.82 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 118.205 -1.398 . . . . 0.0 107.632 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.2 t -128.05 64.44 1.39 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 113.591 -1.641 . . . . 0.0 107.996 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t -95.8 102.42 14.21 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 114.328 -1.306 . . . . 0.0 110.389 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.88 -128.29 0.98 Allowed Glycine 0 N--CA 1.493 2.482 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -81.07 24.78 0.5 Allowed 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -153.23 60.54 0.77 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.9 mt 57.86 -168.29 0.13 Allowed 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 113.635 -1.62 . . . . 0.0 110.804 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.3 m -138.52 92.11 2.6 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.539 1.161 . . . . 0.0 111.805 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 . . . . . 0 N--CA 1.495 1.808 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.3 -164.3 52.39 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 108.38 -1.888 . . . . 0.0 108.38 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 p -79.52 167.91 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 t -155.18 49.28 0.56 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 7.0 t -79.77 128.53 33.53 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.697 -0.801 . . . . 0.0 113.027 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.74 155.11 7.05 Favored Glycine 0 N--CA 1.493 2.444 0 CA-C-N 113.495 -1.684 . . . . 0.0 108.984 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 56.2 33.32 21.89 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 123.957 0.445 . . . . 0.0 112.06 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.1 tttt 76.63 -14.95 0.77 Allowed 'General case' 0 N--CA 1.506 2.337 0 C-N-CA 124.816 1.246 . . . . 0.0 110.645 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.2 tp -88.61 110.34 20.84 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.5 m -136.03 89.0 2.44 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 122.92 1.343 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.0 m80 . . . . . 0 N--CA 1.498 1.947 0 CA-C-N 111.414 -2.63 . . . . 0.0 105.796 -179.889 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.23 -158.49 53.33 Favored Glycine 0 N--CA 1.497 2.739 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -79.21 167.93 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 CA-C-N 114.248 -0.976 . . . . 0.0 108.923 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 t -153.97 57.68 0.73 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.35 130.64 35.12 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.85 51.57 0.08 OUTLIER Glycine 0 N--CA 1.497 2.728 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -164.52 -73.65 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 114.609 -0.795 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -161.63 -47.23 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.14 149.21 25.44 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.148 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.0 m -96.98 153.12 18.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.743 0.652 . . . . 0.0 109.983 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m80 . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.73 -168.38 54.66 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 106.815 -2.514 . . . . 0.0 106.815 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -78.19 127.0 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.4 t -114.48 55.41 0.74 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 112.962 -1.926 . . . . 0.0 107.591 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.6 t -90.01 109.6 20.63 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.647 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.38 -167.03 39.66 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 61.68 -79.15 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.137 0 O-C-N 124.29 0.641 . . . . 0.0 111.837 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -148.02 -35.33 0.22 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 123.619 0.574 . . . . 0.0 110.332 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.3 mt -115.04 171.59 7.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 123.93 0.769 . . . . 0.0 112.361 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.5 m -143.86 103.94 4.1 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.883 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.64 -159.56 3.87 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.15 161.8 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 t -149.54 58.77 1.01 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.3 143.57 32.14 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.66 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.32 -59.99 1.87 Allowed Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' H ' ' H ' ' A' ' 8' ' ' LYS . 47.7 p90 -159.65 -24.84 0.07 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 114.309 -0.946 . . . . 0.0 110.058 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' H ' ' H ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -142.53 -66.8 0.38 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 105.208 -2.145 . . . . 0.0 105.208 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' CD2' ' H ' ' A' ' 9' ' ' LEU . 1.3 pt? -61.28 124.19 19.88 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.737 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.1 m -123.48 148.36 46.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 123.99 0.806 . . . . 0.0 112.013 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.8 m80 . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.24 -162.87 27.4 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 4' ' ' CYS . 44.4 t -81.14 171.91 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.41 ' N ' HG12 ' A' ' 3' ' ' VAL . 34.7 t -160.08 40.13 0.18 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -79.89 156.96 27.07 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.286 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.9 -168.13 33.96 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 107.007 -2.437 . . . . 0.0 107.007 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 65.06 -78.51 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 O-C-N 124.085 0.52 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -163.87 10.37 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.602 0.564 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 9' ' ' LEU . 1.4 pt? -162.04 175.78 11.42 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 123.6 0.563 . . . . 0.0 110.647 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 53.9 m -150.17 -174.54 4.76 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 . . . . . 0 N--CA 1.504 2.249 0 N-CA-C 104.508 -2.405 . . . . 0.0 104.508 -179.757 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.05 -159.66 3.35 Favored Glycine 0 N--CA 1.496 2.679 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.101 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -79.13 149.61 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.6 t -127.14 49.34 2.09 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.5 t -102.39 94.91 5.94 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.935 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.38 -71.39 1.31 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 108.214 -1.954 . . . . 0.0 108.214 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -163.7 -40.26 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.642 -0.779 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -103.37 -36.4 8.04 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 124.044 0.84 . . . . 0.0 110.516 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.4 tp -106.41 129.85 54.32 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.3 m -149.45 101.77 3.13 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 . . . . . 0 N--CA 1.501 2.089 0 CA-C-N 113.558 -1.655 . . . . 0.0 106.547 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.91 -162.26 6.64 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -79.68 169.61 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 t -158.2 38.72 0.25 Allowed 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.58 79.49 6.84 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.351 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.54 -86.14 0.92 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -157.59 -26.9 0.09 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.168 0.569 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -83.87 -46.33 12.26 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 9' ' ' LEU . 2.9 pp -140.81 179.04 6.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 124.441 1.088 . . . . 0.0 110.358 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.3 m -149.85 -171.01 3.79 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 . . . . . 0 N--CA 1.506 2.367 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.58 -161.63 35.04 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 110.279 -1.129 . . . . 0.0 110.279 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 p -79.8 170.1 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.8 t -156.22 43.38 0.4 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 10.7 t -81.1 136.82 35.97 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.69 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.84 -17.74 41.5 Favored Glycine 0 N--CA 1.495 2.603 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.413 ' C ' ' H ' ' A' ' 9' ' ' LEU . 66.0 t80 -89.32 53.23 2.57 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm 67.37 -4.29 0.91 Allowed 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.601 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' H ' ' C ' ' A' ' 7' ' ' TYR . 96.0 mt -148.97 166.43 28.64 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 51.3 m -143.22 83.59 1.79 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 123.051 1.405 . . . . 0.0 110.473 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 . . . . . 0 N--CA 1.498 1.927 0 CA-C-N 111.117 -2.765 . . . . 0.0 105.419 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.08 -159.85 52.74 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.09 164.42 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.7 t -146.08 47.97 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 8.6 t -93.77 99.27 11.69 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.46 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.42 156.44 27.12 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 63.36 -79.48 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 O-C-N 124.859 0.976 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -150.75 -28.02 0.21 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 123.759 0.662 . . . . 0.0 109.72 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.8 mt -83.62 135.78 34.48 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.707 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.5 m -143.27 101.66 3.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.291 0.994 . . . . 0.0 109.524 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 . . . . . 0 N--CA 1.499 1.988 0 CA-C-N 113.203 -1.817 . . . . 0.0 107.218 -179.745 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.16 0.505 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.56 -160.77 10.85 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.66 139.34 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.9 t -133.03 86.49 2.31 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 113.734 -1.575 . . . . 0.0 106.951 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t -120.07 131.66 55.17 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.777 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.04 47.95 0.23 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 64.81 138.27 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 O-C-N 124.906 1.003 . . . . 0.0 112.738 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 66.27 0.0 1.58 Allowed 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 114.652 -1.158 . . . . 0.0 112.103 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.0 tp -169.27 107.76 0.42 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -144.62 94.71 2.59 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 122.322 1.058 . . . . 0.0 110.19 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.5 m80 . . . . . 0 N--CA 1.495 1.812 0 CA-C-N 112.498 -2.137 . . . . 0.0 105.368 -179.817 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.9 -160.82 49.97 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 p -79.04 162.49 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 t -144.83 47.39 1.34 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.3 t -102.78 144.8 30.66 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.78 -1.1 . . . . 0.0 112.781 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.79 -69.43 0.03 OUTLIER Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -146.88 -49.76 0.19 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 124.484 0.755 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -108.72 -63.11 1.38 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 124.369 1.043 . . . . 0.0 109.437 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.39 112.79 7.8 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.8 m -145.07 99.15 3.28 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 124.414 1.071 . . . . 0.0 111.722 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 . . . . . 0 N--CA 1.501 2.11 0 CA-C-N 113.355 -1.748 . . . . 0.0 106.76 -179.877 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.67 -163.73 46.49 Favored Glycine 0 N--CA 1.497 2.766 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.71 156.38 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.7 t -160.33 77.13 0.62 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 102.984 -2.969 . . . . 0.0 102.984 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.1 t -79.48 138.13 37.45 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 114.02 -1.445 . . . . 0.0 111.711 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.22 -121.39 0.42 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -142.19 27.24 1.77 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 124.118 0.54 . . . . 0.0 109.711 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -154.95 -49.09 0.09 Allowed 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.2 mt -136.61 144.59 44.17 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.099 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.5 m -95.11 143.73 26.31 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.118 0.887 . . . . 0.0 112.002 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 . . . . . 0 N--CA 1.499 1.989 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.65 -167.1 29.91 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 p -79.5 167.33 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 t -147.32 45.5 1.14 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.7 t -89.2 90.58 8.43 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.374 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.87 -107.94 0.96 Allowed Glycine 0 N--CA 1.494 2.523 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.134 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -84.18 -63.43 1.34 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.101 0.53 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -123.56 -34.3 3.08 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 124.441 1.088 . . . . 0.0 110.247 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -69.34 113.11 6.36 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.4 m -139.37 94.88 2.84 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 124.265 0.978 . . . . 0.0 112.006 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 . . . . . 0 N--CA 1.501 2.103 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.617 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.24 -157.82 2.76 Favored Glycine 0 N--CA 1.495 2.623 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 p -78.92 164.79 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-N 114.213 -0.993 . . . . 0.0 108.996 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 t -143.81 45.63 1.47 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.0 t -98.3 84.26 3.2 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.378 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.77 -81.21 0.54 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -145.91 -39.26 0.23 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 124.391 0.701 . . . . 0.0 109.823 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.689 ' H ' ' HZ2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -97.18 -72.5 0.64 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 124.145 0.903 . . . . 0.0 109.209 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 9' ' ' LEU . 9.3 mp -80.18 144.91 32.6 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 123.783 0.677 . . . . 0.0 110.76 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.9 m -147.9 98.3 2.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 124.67 1.231 . . . . 0.0 109.551 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 . . . . . 0 N--CA 1.5 2.042 0 CA-C-N 113.172 -1.831 . . . . 0.0 107.552 -179.777 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.94 -164.91 30.95 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.25 127.16 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.1 t -109.33 43.68 1.26 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.985 -1.462 . . . . 0.0 110.033 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.28 86.55 5.76 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.42 44.8 0.09 OUTLIER Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -159.39 -69.62 0.08 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 114.511 -0.844 . . . . 0.0 109.123 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -167.1 -47.42 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.1 mt -86.15 90.7 8.21 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 114.271 -1.331 . . . . 0.0 109.109 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 m -89.17 90.54 8.41 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 122.714 1.245 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -152.79 -128.77 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 103.902 -2.629 . . . . 0.0 103.902 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.0 m 53.83 21.19 2.63 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.168 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 118.995 -2.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.92 -164.25 22.89 Favored Glycine 0 N--CA 1.496 2.682 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -79.41 169.11 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 5.1 t -152.34 44.92 0.72 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 15.5 t -91.11 137.21 32.54 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.42 -69.63 0.02 OUTLIER Glycine 0 N--CA 1.492 2.377 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -169.04 -56.41 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 114.674 -0.763 . . . . 0.0 109.644 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -82.61 -7.67 59.64 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.944 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 10' ' ' CYS . 1.5 tm? -155.84 124.85 6.1 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 43.8 m -145.83 86.93 1.74 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 122.446 1.117 . . . . 0.0 111.465 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.429 ' HB3' ' CD ' ' A' ' 12' ' ' HYP . 69.0 m-70 -153.59 -146.76 0.2 Allowed 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 112.022 -2.354 . . . . 0.0 106.05 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.429 ' CD ' ' HB3' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 66.6 m 63.12 11.45 5.25 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.395 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 118.915 -2.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.63 -160.64 4.38 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -78.49 151.43 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 4.2 t -136.58 42.52 2.5 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.812 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 8.7 t -79.98 84.09 5.78 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.676 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.42 139.5 3.11 Favored Glycine 0 N--CA 1.492 2.371 0 CA-C-N 113.017 -1.901 . . . . 0.0 108.561 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 t80 65.17 -12.21 0.14 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -160.6 62.65 0.31 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.6 mt 54.59 -160.58 0.16 Allowed 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.4 m -130.6 93.37 3.42 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 122.56 1.171 . . . . 0.0 111.711 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.491 ' HB3' ' CD ' ' A' ' 12' ' ' HYP . 53.1 m80 -149.11 -139.62 0.1 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 112.006 -2.361 . . . . 0.0 106.226 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.491 ' CD ' ' HB3' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.427 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 64.5 m 56.85 30.15 17.35 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.49 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.069 -2.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.85 -164.53 49.33 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 5' ' ' CYS . 10.7 p -79.83 171.85 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.589 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 10.1 t -160.01 28.27 0.18 Allowed 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 121.604 0.716 . . . . 0.0 109.348 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.418 ' H ' HG22 ' A' ' 3' ' ' VAL . 4.8 t -87.92 84.3 7.01 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.993 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 172.18 -29.34 0.11 Allowed Glycine 0 N--CA 1.495 2.587 0 CA-C-N 113.813 -1.539 . . . . 0.0 110.527 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -71.69 -62.4 1.43 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 123.887 0.404 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -163.2 -60.87 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.5 tp -98.72 134.84 41.06 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 m -88.72 -177.58 5.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.107 0.879 . . . . 0.0 113.234 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 81.88 -149.52 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.389 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.589 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 64.4 m 51.94 42.69 30.41 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 113.509 -1.678 . . . . 0.0 109.951 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 119.402 -2.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.09 -160.58 21.88 Favored Glycine 0 N--CA 1.496 2.699 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.394 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.46 167.09 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 CA-C-N 114.37 -0.915 . . . . 0.0 108.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -154.33 81.18 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -102.05 160.36 14.57 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.14 134.74 3.77 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 107.226 -2.35 . . . . 0.0 107.226 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 t80 63.02 -78.89 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.114 0 O-C-N 124.88 0.988 . . . . 0.0 111.356 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -147.4 -39.6 0.19 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.6 tp -74.01 130.67 40.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 123.971 0.794 . . . . 0.0 109.424 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.6 m -114.69 158.48 21.72 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 124.26 0.975 . . . . 0.0 112.268 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -147.87 -155.13 0.6 Allowed 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.7 m 68.15 5.13 4.46 Favored 'General case' 0 N--CA 1.501 2.125 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.319 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.272 0 O-C-N 118.887 -2.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 64.5 t . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.56 -166.54 54.82 Favored Glycine 0 N--CA 1.498 2.783 0 N-CA-C 105.911 -2.876 . . . . 0.0 105.911 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -78.69 133.82 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 118.205 -1.398 . . . . 0.0 107.632 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.2 t -128.05 64.44 1.39 Allowed 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 113.591 -1.641 . . . . 0.0 107.996 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t -95.8 102.42 14.21 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 114.328 -1.306 . . . . 0.0 110.389 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.88 -128.29 0.98 Allowed Glycine 0 N--CA 1.493 2.482 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -81.07 24.78 0.5 Allowed 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -153.23 60.54 0.77 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.9 mt 57.86 -168.29 0.13 Allowed 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 113.635 -1.62 . . . . 0.0 110.804 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.3 m -138.52 92.11 2.6 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.539 1.161 . . . . 0.0 111.805 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -148.4 -134.61 0.07 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.9 m 47.63 29.7 1.54 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-O 122.432 1.11 . . . . 0.0 112.558 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.145 -2.222 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.3 -164.3 52.39 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 108.38 -1.888 . . . . 0.0 108.38 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 p -79.52 167.91 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.479 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 5.4 t -155.18 49.28 0.56 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 7.0 t -79.77 128.53 33.53 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.697 -0.801 . . . . 0.0 113.027 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 153.74 155.11 7.05 Favored Glycine 0 N--CA 1.493 2.444 0 CA-C-N 113.495 -1.684 . . . . 0.0 108.984 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 56.2 33.32 21.89 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 123.957 0.445 . . . . 0.0 112.06 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.1 tttt 76.63 -14.95 0.77 Allowed 'General case' 0 N--CA 1.506 2.337 0 C-N-CA 124.816 1.246 . . . . 0.0 110.645 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.2 tp -88.61 110.34 20.84 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.5 m -136.03 89.0 2.44 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 122.92 1.343 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -152.73 -150.62 0.34 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 111.414 -2.63 . . . . 0.0 105.796 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.479 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 74.2 m 58.07 18.45 5.21 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.528 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 118.997 -2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.23 -158.49 53.33 Favored Glycine 0 N--CA 1.497 2.739 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -79.21 167.93 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 CA-C-N 114.248 -0.976 . . . . 0.0 108.923 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 t -153.97 57.68 0.73 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.35 130.64 35.12 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.85 51.57 0.08 OUTLIER Glycine 0 N--CA 1.497 2.728 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -164.52 -73.65 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 114.609 -0.795 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -161.63 -47.23 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.14 149.21 25.44 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.148 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.0 m -96.98 153.12 18.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.743 0.652 . . . . 0.0 109.983 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -142.69 -153.96 0.49 Allowed 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 60.9 m 67.57 4.42 3.84 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 114.033 -1.439 . . . . 0.0 110.757 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 118.916 -2.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.73 -168.38 54.66 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 106.815 -2.514 . . . . 0.0 106.815 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -78.19 127.0 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.4 t -114.48 55.41 0.74 Allowed 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 112.962 -1.926 . . . . 0.0 107.591 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.6 t -90.01 109.6 20.63 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.647 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.38 -167.03 39.66 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 61.68 -79.15 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.137 0 O-C-N 124.29 0.641 . . . . 0.0 111.837 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -148.02 -35.33 0.22 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 123.619 0.574 . . . . 0.0 110.332 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.3 mt -115.04 171.59 7.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 123.93 0.769 . . . . 0.0 112.361 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.5 m -143.86 103.94 4.1 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.883 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -146.75 -138.01 0.09 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.6 m 41.58 43.67 2.38 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.092 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.394 -2.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.64 -159.56 3.87 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.15 161.8 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.458 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 2.1 t -149.54 58.77 1.01 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.3 143.57 32.14 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.66 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.32 -59.99 1.87 Allowed Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' H ' ' H ' ' A' ' 8' ' ' LYS . 47.7 p90 -159.65 -24.84 0.07 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 114.309 -0.946 . . . . 0.0 110.058 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' H ' ' H ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -142.53 -66.8 0.38 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 105.208 -2.145 . . . . 0.0 105.208 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' CD2' ' H ' ' A' ' 9' ' ' LEU . 1.3 pt? -61.28 124.19 19.88 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.737 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.1 m -123.48 148.36 46.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 123.99 0.806 . . . . 0.0 112.013 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -150.68 -157.6 0.83 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.458 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 75.8 m 51.11 26.3 2.77 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 113.747 -1.569 . . . . 0.0 111.691 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 118.986 -2.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.24 -162.87 27.4 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 4' ' ' CYS . 44.4 t -81.14 171.91 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.513 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 34.7 t -160.08 40.13 0.18 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -79.89 156.96 27.07 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.286 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.9 -168.13 33.96 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 107.007 -2.437 . . . . 0.0 107.007 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 65.06 -78.51 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 O-C-N 124.085 0.52 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -163.87 10.37 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.602 0.564 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 9' ' ' LEU . 1.4 pt? -162.04 175.78 11.42 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 123.6 0.563 . . . . 0.0 110.647 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 53.9 m -150.17 -174.54 4.76 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 78.44 -145.8 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 104.508 -2.405 . . . . 0.0 104.508 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.513 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 64.1 m 62.79 25.27 15.01 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.236 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 119.063 -2.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.05 -159.66 3.35 Favored Glycine 0 N--CA 1.496 2.679 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.101 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -79.13 149.61 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.6 t -127.14 49.34 2.09 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.5 t -102.39 94.91 5.94 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.935 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.38 -71.39 1.31 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 108.214 -1.954 . . . . 0.0 108.214 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -163.7 -40.26 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.642 -0.779 . . . . 0.0 110.344 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -103.37 -36.4 8.04 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 124.044 0.84 . . . . 0.0 110.516 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.4 tp -106.41 129.85 54.32 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.3 m -149.45 101.77 3.13 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -152.65 -139.0 0.08 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 113.558 -1.655 . . . . 0.0 106.547 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.6 m 67.02 8.46 6.15 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 113.632 -1.622 . . . . 0.0 110.638 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 118.873 -2.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.91 -162.26 6.64 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -79.68 169.61 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.535 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 6.7 t -158.2 38.72 0.25 Allowed 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.58 79.49 6.84 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.351 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.54 -86.14 0.92 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 108.668 -1.773 . . . . 0.0 108.668 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -157.59 -26.9 0.09 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.168 0.569 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -83.87 -46.33 12.26 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 9' ' ' LEU . 2.9 pp -140.81 179.04 6.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 124.441 1.088 . . . . 0.0 110.358 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.3 m -149.85 -171.01 3.79 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 79.46 -155.95 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.535 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 86.2 m 46.3 41.99 9.75 Favored 'General case' 0 N--CA 1.5 2.035 0 CA-C-N 112.916 -1.947 . . . . 0.0 110.981 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.637 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.58 -161.63 35.04 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 110.279 -1.129 . . . . 0.0 110.279 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 p -79.8 170.1 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 13' ' ' CYS . 25.8 t -156.22 43.38 0.4 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 10.7 t -81.1 136.82 35.97 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.69 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.84 -17.74 41.5 Favored Glycine 0 N--CA 1.495 2.603 0 CA-C-N 114.308 -1.315 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' C ' ' H ' ' A' ' 9' ' ' LEU . 66.0 t80 -89.32 53.23 2.57 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm 67.37 -4.29 0.91 Allowed 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.601 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' H ' ' C ' ' A' ' 7' ' ' TYR . 96.0 mt -148.97 166.43 28.64 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 51.3 m -143.22 83.59 1.79 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 123.051 1.405 . . . . 0.0 110.473 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -149.45 -144.01 0.15 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 111.117 -2.765 . . . . 0.0 105.419 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' N ' ' HB3' ' A' ' 4' ' ' CYS . 57.9 m 75.5 -12.02 1.03 Allowed 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 113.502 -1.681 . . . . 0.0 111.037 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 118.893 -2.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.08 -159.85 52.74 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.09 164.42 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.7 t -146.08 47.97 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 8.6 t -93.77 99.27 11.69 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.46 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.42 156.44 27.12 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 63.36 -79.48 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 O-C-N 124.859 0.976 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -150.75 -28.02 0.21 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 123.759 0.662 . . . . 0.0 109.72 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.8 mt -83.62 135.78 34.48 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.707 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.5 m -143.27 101.66 3.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.291 0.994 . . . . 0.0 109.524 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -148.06 -147.45 0.22 Allowed 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 113.203 -1.817 . . . . 0.0 107.218 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 68.4 m 62.93 16.22 9.01 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 113.527 -1.669 . . . . 0.0 110.605 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.279 0 O-C-N 119.011 -2.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.16 0.505 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.56 -160.77 10.85 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.66 139.34 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.9 t -133.03 86.49 2.31 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 113.734 -1.575 . . . . 0.0 106.951 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.8 t -120.07 131.66 55.17 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.777 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.04 47.95 0.23 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 64.81 138.27 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 O-C-N 124.906 1.003 . . . . 0.0 112.738 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 66.27 0.0 1.58 Allowed 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 114.652 -1.158 . . . . 0.0 112.103 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.0 tp -169.27 107.76 0.42 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -144.62 94.71 2.59 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 122.322 1.058 . . . . 0.0 110.19 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -150.22 -130.05 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 112.498 -2.137 . . . . 0.0 105.368 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 m 53.64 26.64 5.97 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.362 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.257 -2.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.9 -160.82 49.97 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 p -79.04 162.49 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 t -144.83 47.39 1.34 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.3 t -102.78 144.8 30.66 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.78 -1.1 . . . . 0.0 112.781 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.79 -69.43 0.03 OUTLIER Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -146.88 -49.76 0.19 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 124.484 0.755 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -108.72 -63.11 1.38 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 124.369 1.043 . . . . 0.0 109.437 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.39 112.79 7.8 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.8 m -145.07 99.15 3.28 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 124.414 1.071 . . . . 0.0 111.722 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -152.06 -146.46 0.2 Allowed 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 113.355 -1.748 . . . . 0.0 106.76 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 65.0 m 63.75 14.73 8.47 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.556 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.278 0 O-C-N 118.946 -2.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.67 -163.73 46.49 Favored Glycine 0 N--CA 1.497 2.766 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.71 156.38 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.7 t -160.33 77.13 0.62 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 102.984 -2.969 . . . . 0.0 102.984 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.1 t -79.48 138.13 37.45 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 114.02 -1.445 . . . . 0.0 111.711 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.22 -121.39 0.42 Allowed Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -142.19 27.24 1.77 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 124.118 0.54 . . . . 0.0 109.711 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -154.95 -49.09 0.09 Allowed 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.2 mt -136.61 144.59 44.17 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.099 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.5 m -95.11 143.73 26.31 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.118 0.887 . . . . 0.0 112.002 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -148.15 -154.33 0.55 Allowed 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 m 46.52 38.87 5.96 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 113.779 -1.555 . . . . 0.0 111.68 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.519 -1.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.65 -167.1 29.91 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 p -79.5 167.33 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HB3' ' H ' ' A' ' 13' ' ' CYS . 7.1 t -147.32 45.5 1.14 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.7 t -89.2 90.58 8.43 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.374 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.87 -107.94 0.96 Allowed Glycine 0 N--CA 1.494 2.523 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.134 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -84.18 -63.43 1.34 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.101 0.53 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -123.56 -34.3 3.08 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 124.441 1.088 . . . . 0.0 110.247 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -69.34 113.11 6.36 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.4 m -139.37 94.88 2.84 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 124.265 0.978 . . . . 0.0 112.006 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.419 ' HB3' ' CD ' ' A' ' 12' ' ' HYP . 56.4 m-70 -148.67 -145.88 0.18 Allowed 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.617 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.419 ' CD ' ' HB3' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' H ' ' HB3' ' A' ' 4' ' ' CYS . 64.2 m 64.07 15.15 9.06 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 113.971 -1.468 . . . . 0.0 110.666 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 118.98 -2.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.24 -157.82 2.76 Favored Glycine 0 N--CA 1.495 2.623 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 p -78.92 164.79 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-N 114.213 -0.993 . . . . 0.0 108.996 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 t -143.81 45.63 1.47 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.0 t -98.3 84.26 3.2 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.378 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.77 -81.21 0.54 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -145.91 -39.26 0.23 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 124.391 0.701 . . . . 0.0 109.823 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.689 ' H ' ' HZ2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -97.18 -72.5 0.64 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 124.145 0.903 . . . . 0.0 109.209 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 9' ' ' LEU . 9.3 mp -80.18 144.91 32.6 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 123.783 0.677 . . . . 0.0 110.76 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.9 m -147.9 98.3 2.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 124.67 1.231 . . . . 0.0 109.551 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -148.6 -147.53 0.23 Allowed 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 113.172 -1.831 . . . . 0.0 107.552 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 68.6 m 63.69 15.52 9.02 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-N 113.755 -1.566 . . . . 0.0 110.517 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.004 -2.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_