data_1p7e_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 1p7e _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 . . . . . 0.482 ' SD ' ' N ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.482 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -90.54 125.65 35.68 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 176.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -110.35 151.51 27.34 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -119.51 145.61 46.18 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -121.12 125.66 47.79 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.1 t -107.31 120.79 59.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 103.924 -2.621 . . . . 0.0 103.924 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.79 115.41 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.356 0.598 . . . . 0.0 110.68 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -112.48 69.83 0.7 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.121 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.44 170.38 37.01 Favored Glycine 0 C--O 1.231 -0.092 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.985 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -64.63 -41.33 96.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.913 0.863 . . . . 0.0 109.906 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.64 -30.3 4.85 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.927 -172.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.8 tp -108.38 125.46 51.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 119.455 -0.307 . . . . 0.0 110.607 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -139.22 138.28 36.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.287 0.494 . . . . 0.0 109.75 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.7 -150.17 19.91 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 120.302 1.41 . . . . 0.0 110.677 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -145.67 153.61 41.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.766 -1.217 . . . . 0.0 111.671 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -148.75 170.32 18.47 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 176.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.3 p -138.02 164.29 29.44 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.66 0.743 . . . . 0.0 110.734 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -153.18 154.28 34.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.618 -1.173 . . . . 0.0 107.98 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.37 136.21 48.38 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.54 159.96 42.36 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.334 0.588 . . . . 0.0 110.708 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 m -77.27 -24.39 14.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.17 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -151.18 168.25 25.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.367 0.603 . . . . 0.0 110.133 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.7 -36.33 82.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.864 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -35.06 79.26 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.614 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.6 m -68.7 -38.89 80.63 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.785 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.77 90.43 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.37 -45.3 88.51 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.884 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -61.24 -42.72 99.11 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.332 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.54 96.65 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.761 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -70.75 -35.89 72.87 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 118.939 -0.553 . . . . 0.0 111.408 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.79 -35.71 80.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 118.983 0.81 . . . . 0.0 109.177 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -67.38 -43.87 80.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -58.66 -46.46 87.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.823 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.19 89.7 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.944 -0.472 . . . . 0.0 110.446 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -61.22 -43.97 98.02 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.47 -28.61 69.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 117.449 0.113 . . . . 0.0 111.09 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -100.81 11.1 40.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.35 21.96 77.5 Favored Glycine 0 C--N 1.318 -0.422 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.3 t -91.7 127.11 44.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 119.152 1.476 . . . . 0.0 109.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -129.89 91.48 3.14 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.4 -165.25 10.67 Favored Glycine 0 C--N 1.321 -0.279 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.293 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 m -105.41 146.77 11.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -114.62 147.98 38.76 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -131.63 161.2 33.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.065 -1.425 . . . . 0.0 107.412 167.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -140.65 130.6 24.61 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.1 109.35 17.37 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.2 -26.1 67.99 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.082 -176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.25 75.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.256 -0.902 . . . . 0.0 112.238 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.5 p -112.58 3.11 16.53 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.381 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt 50.58 42.94 27.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.644 0.735 . . . . 0.0 111.421 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.9 m -122.2 132.41 54.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.326 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -103.22 147.04 27.53 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.1 m -131.63 137.72 48.49 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 178.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -127.19 129.86 70.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.9 t -127.07 134.24 50.3 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 118.889 -1.124 . . . . 0.0 112.526 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--N 1.318 -0.78 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 177.549 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.482 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -90.54 125.65 35.68 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 176.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -110.35 151.51 27.34 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -119.51 145.61 46.18 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -121.12 125.66 47.79 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.1 t -107.31 120.79 59.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 103.924 -2.621 . . . . 0.0 103.924 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.79 115.41 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.356 0.598 . . . . 0.0 110.68 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -112.48 69.83 0.7 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.121 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.44 170.38 37.01 Favored Glycine 0 C--O 1.231 -0.092 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.985 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -64.63 -41.33 96.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.913 0.863 . . . . 0.0 109.906 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.64 -30.3 4.85 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.927 -172.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.8 tp -108.38 125.46 51.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 119.455 -0.307 . . . . 0.0 110.607 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -139.22 138.28 36.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.287 0.494 . . . . 0.0 109.75 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.7 -150.17 19.91 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 120.302 1.41 . . . . 0.0 110.677 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -145.67 153.61 41.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.766 -1.217 . . . . 0.0 111.671 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -148.75 170.32 18.47 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 176.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.3 p -138.02 164.29 29.44 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.66 0.743 . . . . 0.0 110.734 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.552 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.2 t -153.18 154.28 34.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.618 -1.173 . . . . 0.0 107.98 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.37 136.21 48.38 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.54 159.96 42.36 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.334 0.588 . . . . 0.0 110.708 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 m -77.27 -24.39 14.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.17 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -151.18 168.25 25.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.367 0.603 . . . . 0.0 110.133 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.7 -36.33 82.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.864 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -35.06 79.26 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.614 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.6 m -68.7 -38.89 80.63 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.785 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.77 90.43 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.37 -45.3 88.51 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.884 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -61.24 -42.72 99.11 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.332 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.54 96.65 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.761 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CZ ' HG22 ' A' ' 18' ' ' THR . 8.6 m-85 -70.75 -35.89 72.87 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 118.939 -0.553 . . . . 0.0 111.408 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.79 -35.71 80.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 118.983 0.81 . . . . 0.0 109.177 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -67.38 -43.87 80.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -58.66 -46.46 87.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.823 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.19 89.7 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.944 -0.472 . . . . 0.0 110.446 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -61.22 -43.97 98.02 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.47 -28.61 69.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 117.449 0.113 . . . . 0.0 111.09 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -100.81 11.1 40.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.35 21.96 77.5 Favored Glycine 0 C--N 1.318 -0.422 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.3 t -91.7 127.11 44.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 119.152 1.476 . . . . 0.0 109.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -129.89 91.48 3.14 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.4 -165.25 10.67 Favored Glycine 0 C--N 1.321 -0.279 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.293 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 m -105.41 146.77 11.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -114.62 147.98 38.76 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -131.63 161.2 33.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.065 -1.425 . . . . 0.0 107.412 167.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -140.65 130.6 24.61 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.1 109.35 17.37 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.2 -26.1 67.99 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.082 -176.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.25 75.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.256 -0.902 . . . . 0.0 112.238 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.5 p -112.58 3.11 16.53 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.381 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt 50.58 42.94 27.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.644 0.735 . . . . 0.0 111.421 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.9 m -122.2 132.41 54.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.326 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -103.22 147.04 27.53 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.1 m -131.63 137.72 48.49 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 178.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -127.19 129.86 70.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.9 t -127.07 134.24 50.3 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 118.889 -1.124 . . . . 0.0 112.526 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--N 1.318 -0.78 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 177.549 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.482 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -90.54 125.65 35.68 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 176.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -110.35 151.51 27.34 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -119.51 145.61 46.18 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -121.12 125.66 47.79 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.1 t -107.31 120.79 59.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 103.924 -2.621 . . . . 0.0 103.924 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.79 115.41 49.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.356 0.598 . . . . 0.0 110.68 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -112.48 69.83 0.7 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.121 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.44 170.38 37.01 Favored Glycine 0 C--O 1.231 -0.092 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.985 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -64.63 -41.33 96.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.913 0.863 . . . . 0.0 109.906 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.64 -30.3 4.85 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.927 -172.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.8 tp -108.38 125.46 51.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 119.455 -0.307 . . . . 0.0 110.607 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -139.22 138.28 36.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.287 0.494 . . . . 0.0 109.75 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.7 -150.17 19.91 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 120.302 1.41 . . . . 0.0 110.677 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -145.67 153.61 41.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.766 -1.217 . . . . 0.0 111.671 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -148.75 170.32 18.47 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 176.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.3 p -138.02 164.29 29.44 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.66 0.743 . . . . 0.0 110.734 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.552 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.2 t -153.18 154.28 34.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.618 -1.173 . . . . 0.0 107.98 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.37 136.21 48.38 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.54 159.96 42.36 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.334 0.588 . . . . 0.0 110.708 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 m -77.27 -24.39 14.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.17 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -151.18 168.25 25.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.367 0.603 . . . . 0.0 110.133 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.7 -36.33 82.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.864 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -35.06 79.26 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.614 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.6 m -68.7 -38.89 80.63 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.785 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.77 90.43 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -58.37 -45.3 88.51 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.884 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -61.24 -42.72 99.11 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.332 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.54 96.65 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.761 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CZ ' HG22 ' A' ' 18' ' ' THR . 8.6 m-85 -70.75 -35.89 72.87 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 118.939 -0.553 . . . . 0.0 111.408 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.79 -35.71 80.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 118.983 0.81 . . . . 0.0 109.177 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -67.38 -43.87 80.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -58.66 -46.46 87.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.823 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.19 89.7 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.944 -0.472 . . . . 0.0 110.446 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -61.22 -43.97 98.02 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.47 -28.61 69.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 117.449 0.113 . . . . 0.0 111.09 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -100.81 11.1 40.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.35 21.96 77.5 Favored Glycine 0 C--N 1.318 -0.422 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.3 t -91.7 127.11 44.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 119.152 1.476 . . . . 0.0 109.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -129.89 91.48 3.14 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.4 -165.25 10.67 Favored Glycine 0 C--N 1.321 -0.279 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.293 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 m -105.41 146.77 11.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -114.62 147.98 38.76 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -131.63 161.2 33.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.065 -1.425 . . . . 0.0 107.412 167.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -140.65 130.6 24.61 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.1 109.35 17.37 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -65.2 -26.1 67.99 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.082 -176.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.25 75.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.256 -0.902 . . . . 0.0 112.238 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.5 p -112.58 3.11 16.53 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.381 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt 50.58 42.94 27.49 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.644 0.735 . . . . 0.0 111.421 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.9 m -122.2 132.41 54.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.326 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -103.22 147.04 27.53 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.1 m -131.63 137.72 48.49 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 178.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -127.19 129.86 70.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.9 t -127.07 134.24 50.3 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 118.889 -1.124 . . . . 0.0 112.526 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--N 1.318 -0.78 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 177.549 . . . . . . . . 0 0 . 1 stop_ save_