data_6gq2_residue ############################ # Computer software used # ############################ 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 6gq2 _Structure_validation_residue.Date_analyzed 2019-06-14 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 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.543 0.211 . . . . 40.6 111.019 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -60.68 147.64 41.41 Favored 'General case' 0 C--O 1.19 -2.074 0 C-N-CA 123.591 0.756 . . . . 27.88 112.987 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.94 -42.41 89.72 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 114.365 1.246 . . . . 24.97 114.365 -172.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.79 -39.43 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 118.679 -1.208 . . . . 29.67 111.457 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.64 97.63 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 113.417 0.895 . . . . 20.19 113.417 173.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -63.83 -38.03 89.58 Favored 'General case' 0 C--O 1.266 1.942 0 CA-C-N 115.852 -0.613 . . . . 34.05 109.797 178.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.8 tp -71.12 -48.07 54.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 118.997 -1.081 . . . . 25.04 110.667 -177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -52.49 -48.33 66.02 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.414 -0.812 . . . . 19.91 111.756 173.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -61.76 -40.92 96.83 Favored 'General case' 0 C--O 1.252 1.187 0 N-CA-C 113.781 1.03 . . . . 39.51 113.781 178.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -53.99 -48.91 69.91 Favored 'General case' 0 C--O 1.204 -1.316 0 C-N-CA 120.063 -0.655 . . . . 18.48 112.217 174.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -71.52 -37.79 71.17 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 112.711 0.634 . . . . 19.24 112.711 -176.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.08 91.19 Favored 'General case' 0 C--O 1.261 1.696 0 C-N-CA 119.216 -0.994 . . . . 22.34 109.938 175.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.13 -47.48 85.73 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.325 0.861 . . . . 34.98 113.325 173.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.0 tp -54.65 -46.02 73.91 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 112.126 0.417 . . . . 27.24 112.126 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 tp -61.69 -41.23 97.3 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 121.624 -0.673 . . . . 26.2 111.599 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.72 -27.75 66.96 Favored Glycine 0 C--O 1.216 -1.008 0 N-CA-C 114.034 0.374 . . . . 25.47 114.034 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -63.63 -26.31 68.62 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.926 1.454 . . . . 58.26 114.926 173.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -93.73 -46.11 7.38 Favored 'General case' 0 N--CA 1.424 -1.737 0 C-N-CA 124.549 1.14 . . . . 28.94 111.205 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.5 mt -100.91 -12.71 18.74 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 115.503 1.668 . . . . 25.11 115.503 -171.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.23 168.4 40.05 Favored Glycine 0 CA--C 1.505 -0.57 0 CA-C-O 122.588 1.105 . . . . 32.73 114.294 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -119.91 -0.44 10.64 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 113.554 -1.323 . . . . 67.2 113.546 174.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.3 m120 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 120.694 0.283 . . . . 52.64 110.813 -177.515 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.543 0.211 . . . . 40.600000000000001 111.019 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -60.68 147.64 41.41 Favored 'General case' 0 C--O 1.19 -2.074 0 C-N-CA 123.591 0.756 . . . . 27.879999999999999 112.987 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.94 -42.41 89.72 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 114.365 1.246 . . . . 24.969999999999999 114.365 -172.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.79 -39.43 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 118.679 -1.208 . . . . 29.670000000000002 111.457 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.64 97.63 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 113.417 0.895 . . . . 20.190000000000001 113.417 173.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -63.83 -38.03 89.58 Favored 'General case' 0 C--O 1.266 1.942 0 CA-C-N 115.852 -0.613 . . . . 34.049999999999997 109.797 178.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.8 tp -71.12 -48.07 54.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 118.997 -1.081 . . . . 25.039999999999999 110.667 -177.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -52.49 -48.33 66.02 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.414 -0.812 . . . . 19.91 111.756 173.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -61.76 -40.92 96.83 Favored 'General case' 0 C--O 1.252 1.187 0 N-CA-C 113.781 1.03 . . . . 39.509999999999998 113.781 178.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -53.99 -48.91 69.91 Favored 'General case' 0 C--O 1.204 -1.316 0 C-N-CA 120.063 -0.655 . . . . 18.48 112.217 174.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -71.52 -37.79 71.17 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 112.711 0.634 . . . . 19.239999999999998 112.711 -176.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.08 91.19 Favored 'General case' 0 C--O 1.261 1.696 0 C-N-CA 119.216 -0.994 . . . . 22.34 109.938 175.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.13 -47.48 85.73 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.325 0.861 . . . . 34.979999999999997 113.325 173.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.0 tp -54.65 -46.02 73.91 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 112.126 0.417 . . . . 27.239999999999998 112.126 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 tp -61.69 -41.23 97.3 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 121.624 -0.673 . . . . 26.199999999999999 111.599 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.72 -27.75 66.96 Favored Glycine 0 C--O 1.216 -1.008 0 N-CA-C 114.034 0.374 . . . . 25.469999999999999 114.034 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -63.63 -26.31 68.62 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.926 1.454 . . . . 58.259999999999998 114.926 173.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -93.73 -46.11 7.38 Favored 'General case' 0 N--CA 1.424 -1.737 0 C-N-CA 124.549 1.14 . . . . 28.940000000000001 111.205 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.5 mt -100.91 -12.71 18.74 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 115.503 1.668 . . . . 25.109999999999999 115.503 -171.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.23 168.4 40.05 Favored Glycine 0 CA--C 1.505 -0.57 0 CA-C-O 122.588 1.105 . . . . 32.729999999999997 114.294 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -119.91 -0.44 10.64 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 113.554 -1.323 . . . . 67.200000000000003 113.546 174.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.3 m120 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 120.694 0.283 . . . . 52.640000000000001 110.813 -177.515 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.543 0.211 . . . . 40.600000000000001 111.019 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -60.68 147.64 41.41 Favored 'General case' 0 C--O 1.19 -2.074 0 C-N-CA 123.591 0.756 . . . . 27.879999999999999 112.987 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.94 -42.41 89.72 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 114.365 1.246 . . . . 24.969999999999999 114.365 -172.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.79 -39.43 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 118.679 -1.208 . . . . 29.670000000000002 111.457 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.64 97.63 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 113.417 0.895 . . . . 20.190000000000001 113.417 173.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -63.83 -38.03 89.58 Favored 'General case' 0 C--O 1.266 1.942 0 CA-C-N 115.852 -0.613 . . . . 34.049999999999997 109.797 178.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.8 tp -71.12 -48.07 54.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 118.997 -1.081 . . . . 25.039999999999999 110.667 -177.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -52.49 -48.33 66.02 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.414 -0.812 . . . . 19.91 111.756 173.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -61.76 -40.92 96.83 Favored 'General case' 0 C--O 1.252 1.187 0 N-CA-C 113.781 1.03 . . . . 39.509999999999998 113.781 178.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -53.99 -48.91 69.91 Favored 'General case' 0 C--O 1.204 -1.316 0 C-N-CA 120.063 -0.655 . . . . 18.48 112.217 174.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -71.52 -37.79 71.17 Favored 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 112.711 0.634 . . . . 19.239999999999998 112.711 -176.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.08 91.19 Favored 'General case' 0 C--O 1.261 1.696 0 C-N-CA 119.216 -0.994 . . . . 22.34 109.938 175.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.13 -47.48 85.73 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.325 0.861 . . . . 34.979999999999997 113.325 173.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.0 tp -54.65 -46.02 73.91 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 112.126 0.417 . . . . 27.239999999999998 112.126 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.1 tp -61.69 -41.23 97.3 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 121.624 -0.673 . . . . 26.199999999999999 111.599 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.72 -27.75 66.96 Favored Glycine 0 C--O 1.216 -1.008 0 N-CA-C 114.034 0.374 . . . . 25.469999999999999 114.034 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -63.63 -26.31 68.62 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.926 1.454 . . . . 58.259999999999998 114.926 173.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -93.73 -46.11 7.38 Favored 'General case' 0 N--CA 1.424 -1.737 0 C-N-CA 124.549 1.14 . . . . 28.940000000000001 111.205 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.5 mt -100.91 -12.71 18.74 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 115.503 1.668 . . . . 25.109999999999999 115.503 -171.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.23 168.4 40.05 Favored Glycine 0 CA--C 1.505 -0.57 0 CA-C-O 122.588 1.105 . . . . 32.729999999999997 114.294 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -119.91 -0.44 10.64 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 113.554 -1.323 . . . . 67.200000000000003 113.546 174.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.3 m120 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 120.694 0.283 . . . . 52.640000000000001 110.813 -177.515 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_