data_1ehs_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 1ehs _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' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 t -71.72 -40.59 69.36 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -131.23 141.12 49.98 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.971 0.891 . . . . 0.0 110.235 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.1 t -137.88 -61.97 0.61 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 123.32 0.648 . . . . 0.0 111.839 173.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.71 -37.3 65.19 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 170.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -69.56 27.4 0.03 OUTLIER 'General case' 0 CA--C 1.581 2.144 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 167.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -99.8 136.84 39.12 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 124.863 1.265 . . . . 0.0 112.815 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . 0.424 3.9 p30 57.25 90.61 0.04 OUTLIER 'General case' 0 CA--C 1.569 1.704 0 N-CA-C 119.042 2.978 . . . . 0.0 119.042 176.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp 138.76 -53.75 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.398 0 C-N-CA 128.289 2.636 . . . . 0.0 105.985 -140.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 t -94.92 -51.6 4.61 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 128.968 2.907 . . . . 0.0 111.487 179.639 -176.975 105.081 -91.084 110.607 1.996 109.769 164.955 -165.446 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -50.32 -43.63 53.87 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 149.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -58.2 -42.78 86.9 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 175.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.61 -45.31 6.73 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 118.757 2.873 . . . . 0.0 118.757 157.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.43 0.0 OUTLIER -76.7 -25.3 53.47 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 164.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.305 20.1 mm-40 -52.5 -40.23 62.15 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 157.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.1 mt -63.09 -42.85 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.516 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 164.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.11 -8.52 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 159.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.29 0.0 OUTLIER -79.28 -55.83 4.8 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 166.483 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.73 -11.25 16.34 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 172.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -60.36 -21.71 62.43 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 121.345 3.831 . . . . 0.0 121.345 155.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 35' ' ' ALA . 2.1 t -123.07 -37.81 2.67 Favored 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 110.821 -2.9 . . . . 0.0 115.444 -154.606 -151.581 178.586 -41.201 110.2 2.016 112.992 -62.48 47.282 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.54 -46.44 88.39 Favored 'General case' 0 CA--C 1.569 1.673 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 167.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -125.37 121.05 32.8 Favored 'General case' 0 CA--C 1.566 1.572 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -169.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.15 147.0 1.96 Allowed Glycine 0 CA--C 1.547 2.086 0 N-CA-C 117.175 1.63 . . . . 0.0 117.175 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -146.02 20.34 1.43 Allowed 'General case' 0 CA--C 1.573 1.858 0 N-CA-C 118.279 2.696 . . . . 0.0 118.279 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.361 1.4 pt? -130.76 -7.64 4.03 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 121.288 3.81 . . . . 0.0 121.288 171.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.78 68.22 0.33 Allowed Glycine 0 N--CA 1.481 1.635 0 CA-C-O 119.648 -0.529 . . . . 0.0 111.999 154.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.264 95.2 t -70.65 -69.84 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 CA-C-O 125.451 2.548 . . . . 0.0 111.793 170.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.267 0.0 OUTLIER -123.67 7.7 8.84 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 108.95 -3.75 . . . . 0.0 117.253 -170.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.261 11.7 m-20 50.55 17.34 0.36 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 120.765 3.617 . . . . 0.0 120.765 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.05 -58.95 11.95 Favored Glycine 0 CA--C 1.555 2.534 0 CA-C-N 114.439 -1.255 . . . . 0.0 114.923 115.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.3 9.6 t 155.05 -59.56 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.588 0 C-N-CA 126.46 1.904 . . . . 0.0 110.363 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -147.4 89.03 1.74 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 126.437 1.895 . . . . 0.0 107.899 -172.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.85 -39.17 95.09 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 116.67 1.428 . . . . 0.0 116.67 165.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' C ' ' SG ' ' A' ' 21' ' ' CYS . . . 52.72 40.4 30.29 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 118.293 2.701 . . . . 0.0 118.293 152.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . 0.51 5.5 p 56.49 33.16 22.07 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 118.553 2.797 . . . . 0.0 118.553 -175.288 47.282 -62.48 -41.201 112.992 2.016 110.2 178.586 -151.581 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -159.98 -43.97 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.072 0.949 . . . . 0.0 112.424 160.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.86 8.57 1.17 Allowed Glycine 0 CA--C 1.557 2.706 0 N-CA-C 120.61 3.004 . . . . 0.0 120.61 166.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.42 -22.28 8.27 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 155.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -59.35 -41.49 89.32 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 167.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pp -62.15 -53.81 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 163.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.5 ttt -48.96 -36.18 16.89 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.5 t -43.34 -52.11 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 160.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.33 -7.67 4.72 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 118.205 2.668 . . . . 0.0 118.205 169.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.86 51.01 1.82 Allowed 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 160.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -135.98 -59.86 0.74 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.984 1.314 . . . . 0.0 109.376 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.9 -42.35 0.12 Allowed Glycine 0 N--CA 1.482 1.759 0 CA-C-O 119.481 -0.621 . . . . 0.0 114.351 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.561 1.372 0 CA-C-O 124.576 2.131 . . . . 0.0 114.224 -172.943 -165.446 164.955 -91.084 109.769 1.996 110.607 105.081 -176.975 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 t -71.72 -40.59 69.36 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -131.23 141.12 49.98 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.971 0.891 . . . . 0.0 110.235 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.1 t -137.88 -61.97 0.61 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 123.32 0.648 . . . . 0.0 111.839 173.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.71 -37.3 65.19 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 170.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -69.56 27.4 0.03 OUTLIER 'General case' 0 CA--C 1.581 2.144 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 167.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -99.8 136.84 39.12 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 124.863 1.265 . . . . 0.0 112.815 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . 0.424 3.9 p30 57.25 90.61 0.04 OUTLIER 'General case' 0 CA--C 1.569 1.704 0 N-CA-C 119.042 2.978 . . . . 0.0 119.042 176.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.509 ' H ' ' H ' ' A' ' 12' ' ' HIS . 3.2 pp 138.76 -53.75 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.398 0 C-N-CA 128.289 2.636 . . . . 0.0 105.985 -140.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 t -94.92 -51.6 4.61 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 128.968 2.907 . . . . 0.0 111.487 179.639 -176.975 105.081 -91.084 110.607 1.996 109.769 164.955 -165.446 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -50.32 -43.63 53.87 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 149.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.509 ' H ' ' H ' ' A' ' 9' ' ' LEU . 34.7 t-80 -58.2 -42.78 86.9 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 175.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.61 -45.31 6.73 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 118.757 2.873 . . . . 0.0 118.757 157.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.43 0.0 OUTLIER -76.7 -25.3 53.47 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 164.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.305 20.1 mm-40 -52.5 -40.23 62.15 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 157.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.1 mt -63.09 -42.85 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.516 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 164.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.11 -8.52 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 159.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.29 0.0 OUTLIER -79.28 -55.83 4.8 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 166.483 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.73 -11.25 16.34 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 172.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -60.36 -21.71 62.43 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 121.345 3.831 . . . . 0.0 121.345 155.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 35' ' ' ALA . 2.1 t -123.07 -37.81 2.67 Favored 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 110.821 -2.9 . . . . 0.0 115.444 -154.606 -151.581 178.586 -41.201 110.2 2.016 112.992 -62.48 47.282 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.54 -46.44 88.39 Favored 'General case' 0 CA--C 1.569 1.673 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 167.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -125.37 121.05 32.8 Favored 'General case' 0 CA--C 1.566 1.572 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -169.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.15 147.0 1.96 Allowed Glycine 0 CA--C 1.547 2.086 0 N-CA-C 117.175 1.63 . . . . 0.0 117.175 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -146.02 20.34 1.43 Allowed 'General case' 0 CA--C 1.573 1.858 0 N-CA-C 118.279 2.696 . . . . 0.0 118.279 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.361 1.4 pt? -130.76 -7.64 4.03 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 121.288 3.81 . . . . 0.0 121.288 171.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.78 68.22 0.33 Allowed Glycine 0 N--CA 1.481 1.635 0 CA-C-O 119.648 -0.529 . . . . 0.0 111.999 154.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.264 95.2 t -70.65 -69.84 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 CA-C-O 125.451 2.548 . . . . 0.0 111.793 170.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.267 0.0 OUTLIER -123.67 7.7 8.84 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 108.95 -3.75 . . . . 0.0 117.253 -170.605 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.261 11.7 m-20 50.55 17.34 0.36 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 120.765 3.617 . . . . 0.0 120.765 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.05 -58.95 11.95 Favored Glycine 0 CA--C 1.555 2.534 0 CA-C-N 114.439 -1.255 . . . . 0.0 114.923 115.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.3 9.6 t 155.05 -59.56 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.588 0 C-N-CA 126.46 1.904 . . . . 0.0 110.363 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -147.4 89.03 1.74 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 126.437 1.895 . . . . 0.0 107.899 -172.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.85 -39.17 95.09 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 116.67 1.428 . . . . 0.0 116.67 165.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' C ' ' SG ' ' A' ' 21' ' ' CYS . . . 52.72 40.4 30.29 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 118.293 2.701 . . . . 0.0 118.293 152.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . 0.51 5.5 p 56.49 33.16 22.07 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 118.553 2.797 . . . . 0.0 118.553 -175.288 47.282 -62.48 -41.201 112.992 2.016 110.2 178.586 -151.581 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -159.98 -43.97 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.072 0.949 . . . . 0.0 112.424 160.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.86 8.57 1.17 Allowed Glycine 0 CA--C 1.557 2.706 0 N-CA-C 120.61 3.004 . . . . 0.0 120.61 166.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.42 -22.28 8.27 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 155.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -59.35 -41.49 89.32 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 167.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pp -62.15 -53.81 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 163.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.5 ttt -48.96 -36.18 16.89 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.5 t -43.34 -52.11 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 160.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.33 -7.67 4.72 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 118.205 2.668 . . . . 0.0 118.205 169.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.86 51.01 1.82 Allowed 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 160.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -135.98 -59.86 0.74 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.984 1.314 . . . . 0.0 109.376 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.9 -42.35 0.12 Allowed Glycine 0 N--CA 1.482 1.759 0 CA-C-O 119.481 -0.621 . . . . 0.0 114.351 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.561 1.372 0 CA-C-O 124.576 2.131 . . . . 0.0 114.224 -172.943 -165.446 164.955 -91.084 109.769 1.996 110.607 105.081 -176.975 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 t -71.72 -40.59 69.36 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -131.23 141.12 49.98 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.971 0.891 . . . . 0.0 110.235 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.1 t -137.88 -61.97 0.61 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 123.32 0.648 . . . . 0.0 111.839 173.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.71 -37.3 65.19 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 170.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -69.56 27.4 0.03 OUTLIER 'General case' 0 CA--C 1.581 2.144 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 167.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -99.8 136.84 39.12 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 124.863 1.265 . . . . 0.0 112.815 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . 0.424 3.9 p30 57.25 90.61 0.04 OUTLIER 'General case' 0 CA--C 1.569 1.704 0 N-CA-C 119.042 2.978 . . . . 0.0 119.042 176.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.509 ' H ' ' H ' ' A' ' 12' ' ' HIS . 3.2 pp 138.76 -53.75 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.398 0 C-N-CA 128.289 2.636 . . . . 0.0 105.985 -140.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.1 t -94.92 -51.6 4.61 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 128.968 2.907 . . . . 0.0 111.487 179.639 -176.975 105.081 -91.084 110.607 1.996 109.769 164.955 -165.446 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -50.32 -43.63 53.87 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 149.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.509 ' H ' ' H ' ' A' ' 9' ' ' LEU . 34.7 t-80 -58.2 -42.78 86.9 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 175.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.61 -45.31 6.73 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 118.757 2.873 . . . . 0.0 118.757 157.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.43 0.0 OUTLIER -76.7 -25.3 53.47 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 164.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . 0.305 20.1 mm-40 -52.5 -40.23 62.15 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 157.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.1 mt -63.09 -42.85 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.516 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 164.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.11 -8.52 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 159.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.29 0.0 OUTLIER -79.28 -55.83 4.8 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 166.483 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.73 -11.25 16.34 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 172.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -60.36 -21.71 62.43 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 121.345 3.831 . . . . 0.0 121.345 155.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 35' ' ' ALA . 2.1 t -123.07 -37.81 2.67 Favored 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 110.821 -2.9 . . . . 0.0 115.444 -154.606 -151.581 178.586 -41.201 110.2 2.016 112.992 -62.48 47.282 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.54 -46.44 88.39 Favored 'General case' 0 CA--C 1.569 1.673 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 167.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -125.37 121.05 32.8 Favored 'General case' 0 CA--C 1.566 1.572 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -169.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.15 147.0 1.96 Allowed Glycine 0 CA--C 1.547 2.086 0 N-CA-C 117.175 1.63 . . . . 0.0 117.175 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -146.02 20.34 1.43 Allowed 'General case' 0 CA--C 1.573 1.858 0 N-CA-C 118.279 2.696 . . . . 0.0 118.279 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . 0.361 1.4 pt? -130.76 -7.64 4.03 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 121.288 3.81 . . . . 0.0 121.288 171.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.78 68.22 0.33 Allowed Glycine 0 N--CA 1.481 1.635 0 CA-C-O 119.648 -0.529 . . . . 0.0 111.999 154.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.264 95.2 t -70.65 -69.84 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 CA-C-O 125.451 2.548 . . . . 0.0 111.793 170.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.267 0.0 OUTLIER -123.67 7.7 8.84 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 108.95 -3.75 . . . . 0.0 117.253 -170.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.261 11.7 m-20 50.55 17.34 0.36 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 120.765 3.617 . . . . 0.0 120.765 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.05 -58.95 11.95 Favored Glycine 0 CA--C 1.555 2.534 0 CA-C-N 114.439 -1.255 . . . . 0.0 114.923 115.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.3 9.6 t 155.05 -59.56 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.588 0 C-N-CA 126.46 1.904 . . . . 0.0 110.363 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -147.4 89.03 1.74 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 126.437 1.895 . . . . 0.0 107.899 -172.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.85 -39.17 95.09 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 116.67 1.428 . . . . 0.0 116.67 165.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' C ' ' SG ' ' A' ' 21' ' ' CYS . . . 52.72 40.4 30.29 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 118.293 2.701 . . . . 0.0 118.293 152.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . 0.51 5.5 p 56.49 33.16 22.07 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 118.553 2.797 . . . . 0.0 118.553 -175.288 47.282 -62.48 -41.201 112.992 2.016 110.2 178.586 -151.581 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -159.98 -43.97 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.072 0.949 . . . . 0.0 112.424 160.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.86 8.57 1.17 Allowed Glycine 0 CA--C 1.557 2.706 0 N-CA-C 120.61 3.004 . . . . 0.0 120.61 166.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.42 -22.28 8.27 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 155.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -59.35 -41.49 89.32 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 167.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pp -62.15 -53.81 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 116.963 2.209 . . . . 0.0 116.963 163.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.5 ttt -48.96 -36.18 16.89 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.5 t -43.34 -52.11 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 160.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.33 -7.67 4.72 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 118.205 2.668 . . . . 0.0 118.205 169.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.86 51.01 1.82 Allowed 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 160.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -135.98 -59.86 0.74 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.984 1.314 . . . . 0.0 109.376 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.9 -42.35 0.12 Allowed Glycine 0 N--CA 1.482 1.759 0 CA-C-O 119.481 -0.621 . . . . 0.0 114.351 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.561 1.372 0 CA-C-O 124.576 2.131 . . . . 0.0 114.224 -172.943 -165.446 164.955 -91.084 109.769 1.996 110.607 105.081 -176.975 0 0 . 1 stop_ save_