data_1p7f_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 1p7f _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttm . . . . . 0 C--O 1.231 0.09 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -90.59 125.44 35.63 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 177.045 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -110.12 151.28 27.45 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.148 -1.426 . . . . 0.0 107.148 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -119.77 145.03 46.95 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 tp -121.02 125.56 47.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.4 t -107.16 121.08 59.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 103.531 -2.766 . . . . 0.0 103.531 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt -110.23 116.12 51.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.593 0.711 . . . . 0.0 110.47 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -113.32 70.44 0.72 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.63 -1.623 . . . . 0.0 109.818 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.87 171.25 35.67 Favored Glycine 0 N--CA 1.455 -0.073 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.837 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -65.34 -41.43 93.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.981 0.896 . . . . 0.0 109.904 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.18 -30.67 4.9 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 113.922 -1.49 . . . . 0.0 112.244 -172.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.2 tp -107.83 125.59 51.63 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.794 -0.566 . . . . 0.0 110.024 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -139.55 138.41 36.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 119.277 0.944 . . . . 0.0 109.445 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.99 -150.46 20.69 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 120.11 1.323 . . . . 0.0 110.503 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -145.37 153.74 41.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 113.738 -1.231 . . . . 0.0 111.708 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.533 ' HG1' ' H ' ' A' ' 17' ' ' THR . 14.7 t -149.05 170.58 18.06 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 176.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.533 ' H ' ' HG1' ' A' ' 16' ' ' THR . 71.9 p -138.19 164.26 29.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.476 0.655 . . . . 0.0 110.659 -177.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -153.27 153.87 33.52 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.89 136.13 48.11 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.81 159.95 42.06 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 118.373 0.533 . . . . 0.0 110.656 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.71 -23.49 14.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 119.63 -0.828 . . . . 0.0 112.171 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -150.73 168.72 23.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.96 81.62 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.907 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -34.8 78.67 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.582 -178.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.4 m -68.71 -38.9 80.59 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.684 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.83 89.96 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.8 -46.14 85.07 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.738 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -60.63 -43.1 97.91 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.68 96.08 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.757 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -70.94 -35.68 72.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.321 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.66 -35.81 81.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 119.219 0.918 . . . . 0.0 109.036 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -66.77 -44.06 82.38 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -58.25 -46.48 85.89 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.68 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.71 91.54 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.893 -0.504 . . . . 0.0 110.571 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -60.52 -45.08 95.14 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.28 -29.68 68.96 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 122.581 0.352 . . . . 0.0 110.967 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -101.08 10.8 40.59 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.2 19.9 78.85 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 116.285 1.274 . . . . 0.0 116.285 176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.4 t -91.66 127.48 43.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 119.517 1.659 . . . . 0.0 109.207 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -130.46 91.29 3.07 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.59 -165.05 10.57 Favored Glycine 0 C--N 1.322 -0.198 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.261 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.55 145.49 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -114.18 147.34 39.05 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.3 p -131.43 160.48 35.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 167.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -140.62 130.28 24.22 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 113.305 -1.77 . . . . 0.0 106.748 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.33 109.93 18.02 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.22 -25.11 66.76 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.221 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.72 74.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 120.924 -1.11 . . . . 0.0 112.401 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.5 p -111.67 2.14 17.1 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.394 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt 52.25 40.78 29.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.927 0.87 . . . . 0.0 111.823 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -122.64 131.78 53.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.659 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -103.81 146.24 28.92 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 174.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.2 m -131.8 137.89 48.32 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -128.4 129.82 69.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.392 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -127.53 135.72 50.74 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.978 -1.465 . . . . 0.0 113.294 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 C--N 1.318 -0.77 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.121 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttm . . . . . 0 C--O 1.231 0.09 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.497 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -90.59 125.44 35.63 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 177.045 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -110.12 151.28 27.45 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.148 -1.426 . . . . 0.0 107.148 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -119.77 145.03 46.95 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 tp -121.02 125.56 47.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.4 t -107.16 121.08 59.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 103.531 -2.766 . . . . 0.0 103.531 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt -110.23 116.12 51.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.593 0.711 . . . . 0.0 110.47 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -113.32 70.44 0.72 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.63 -1.623 . . . . 0.0 109.818 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.87 171.25 35.67 Favored Glycine 0 N--CA 1.455 -0.073 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.837 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -65.34 -41.43 93.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.981 0.896 . . . . 0.0 109.904 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.18 -30.67 4.9 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 113.922 -1.49 . . . . 0.0 112.244 -172.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.2 tp -107.83 125.59 51.63 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.794 -0.566 . . . . 0.0 110.024 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -139.55 138.41 36.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 119.277 0.944 . . . . 0.0 109.445 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.99 -150.46 20.69 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 120.11 1.323 . . . . 0.0 110.503 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -145.37 153.74 41.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 113.738 -1.231 . . . . 0.0 111.708 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -149.05 170.58 18.06 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.9 p -138.19 164.26 29.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.476 0.655 . . . . 0.0 110.659 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.476 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.2 t -153.27 153.87 33.52 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.89 136.13 48.11 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.81 159.95 42.06 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 118.373 0.533 . . . . 0.0 110.656 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.71 -23.49 14.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 119.63 -0.828 . . . . 0.0 112.171 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -150.73 168.72 23.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.96 81.62 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.907 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -34.8 78.67 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.582 -178.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.4 m -68.71 -38.9 80.59 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.684 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.83 89.96 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.8 -46.14 85.07 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.738 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -60.63 -43.1 97.91 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.68 96.08 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.757 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.476 ' CZ ' HG22 ' A' ' 18' ' ' THR . 8.4 m-85 -70.94 -35.68 72.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.321 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.66 -35.81 81.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 119.219 0.918 . . . . 0.0 109.036 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -66.77 -44.06 82.38 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -58.25 -46.48 85.89 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.68 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.71 91.54 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.893 -0.504 . . . . 0.0 110.571 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -60.52 -45.08 95.14 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.28 -29.68 68.96 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 122.581 0.352 . . . . 0.0 110.967 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -101.08 10.8 40.59 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.2 19.9 78.85 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 116.285 1.274 . . . . 0.0 116.285 176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.4 t -91.66 127.48 43.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 119.517 1.659 . . . . 0.0 109.207 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -130.46 91.29 3.07 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.59 -165.05 10.57 Favored Glycine 0 C--N 1.322 -0.198 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.261 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.55 145.49 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -114.18 147.34 39.05 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.3 p -131.43 160.48 35.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 167.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -140.62 130.28 24.22 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 113.305 -1.77 . . . . 0.0 106.748 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.33 109.93 18.02 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.22 -25.11 66.76 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.221 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.72 74.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 120.924 -1.11 . . . . 0.0 112.401 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.5 p -111.67 2.14 17.1 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.394 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt 52.25 40.78 29.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.927 0.87 . . . . 0.0 111.823 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -122.64 131.78 53.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.659 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -103.81 146.24 28.92 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 174.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.2 m -131.8 137.89 48.32 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -128.4 129.82 69.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.392 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -127.53 135.72 50.74 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.978 -1.465 . . . . 0.0 113.294 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 C--N 1.318 -0.77 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.121 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttm . . . . . 0 C--O 1.231 0.09 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.497 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -90.59 125.44 35.63 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 177.045 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -110.12 151.28 27.45 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.148 -1.426 . . . . 0.0 107.148 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -119.77 145.03 46.95 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 tp -121.02 125.56 47.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.4 t -107.16 121.08 59.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 103.531 -2.766 . . . . 0.0 103.531 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt -110.23 116.12 51.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.593 0.711 . . . . 0.0 110.47 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -113.32 70.44 0.72 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.63 -1.623 . . . . 0.0 109.818 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.87 171.25 35.67 Favored Glycine 0 N--CA 1.455 -0.073 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.837 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -65.34 -41.43 93.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.981 0.896 . . . . 0.0 109.904 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.18 -30.67 4.9 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 113.922 -1.49 . . . . 0.0 112.244 -172.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.2 tp -107.83 125.59 51.63 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.794 -0.566 . . . . 0.0 110.024 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -139.55 138.41 36.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 119.277 0.944 . . . . 0.0 109.445 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.99 -150.46 20.69 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 120.11 1.323 . . . . 0.0 110.503 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -145.37 153.74 41.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 113.738 -1.231 . . . . 0.0 111.708 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -149.05 170.58 18.06 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.9 p -138.19 164.26 29.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.476 0.655 . . . . 0.0 110.659 -177.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.476 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.2 t -153.27 153.87 33.52 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.89 136.13 48.11 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.81 159.95 42.06 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 118.373 0.533 . . . . 0.0 110.656 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.71 -23.49 14.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 119.63 -0.828 . . . . 0.0 112.171 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -150.73 168.72 23.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.96 81.62 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.907 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -34.8 78.67 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.582 -178.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.4 m -68.71 -38.9 80.59 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.684 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.83 89.96 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.8 -46.14 85.07 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.738 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -60.63 -43.1 97.91 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.68 96.08 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.757 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.476 ' CZ ' HG22 ' A' ' 18' ' ' THR . 8.4 m-85 -70.94 -35.68 72.31 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.321 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.66 -35.81 81.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 119.219 0.918 . . . . 0.0 109.036 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -66.77 -44.06 82.38 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -58.25 -46.48 85.89 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.68 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.71 91.54 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.893 -0.504 . . . . 0.0 110.571 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -60.52 -45.08 95.14 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.28 -29.68 68.96 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 122.581 0.352 . . . . 0.0 110.967 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -101.08 10.8 40.59 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.2 19.9 78.85 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 116.285 1.274 . . . . 0.0 116.285 176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.4 t -91.66 127.48 43.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 119.517 1.659 . . . . 0.0 109.207 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -130.46 91.29 3.07 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.59 -165.05 10.57 Favored Glycine 0 C--N 1.322 -0.198 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.261 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.55 145.49 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -114.18 147.34 39.05 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.3 p -131.43 160.48 35.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 167.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -140.62 130.28 24.22 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 113.305 -1.77 . . . . 0.0 106.748 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.33 109.93 18.02 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.22 -25.11 66.76 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.221 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.72 74.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 120.924 -1.11 . . . . 0.0 112.401 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.5 p -111.67 2.14 17.1 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.394 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt 52.25 40.78 29.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.927 0.87 . . . . 0.0 111.823 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -122.64 131.78 53.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.659 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -103.81 146.24 28.92 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 174.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.2 m -131.8 137.89 48.32 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -128.4 129.82 69.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.392 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -127.53 135.72 50.74 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.978 -1.465 . . . . 0.0 113.294 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 C--N 1.318 -0.77 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.121 . . . . . . . . 0 0 . 1 stop_ save_