data_3hro_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 3hro _Structure_validation_residue.Date_analyzed 2016-10-12 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 ' 834' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 N--CA 1.501 2.108 0 CA-C-O 121.233 0.54 . . . . 31.390000000000001 112.119 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 835' ' ' SER . . . . . . . . . . . . . 95.1 p -82.69 160.78 22.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.556 0.946 . . . . 31.629999999999999 113.556 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -57.71 -45.75 85.29 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 114.744 -1.117 . . . . 43.079999999999998 112.327 179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -55.72 -50.24 70.89 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 113.475 0.917 . . . . 45.329999999999998 113.475 -178.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 838' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -67.18 -37.33 83.5 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 119.413 -0.915 . . . . 34.299999999999997 111.35 -179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 839' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -63.67 -42.66 98.04 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.24 -0.652 . . . . 25.5 109.24 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 840' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -63.5 -31.1 72.16 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 112.91 0.708 . . . . 32.670000000000002 112.91 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 841' ' ' VAL . . . . . . . . . . . . . 44.1 t -58.19 -42.47 83.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.292 -1.003 . . . . 20.68 108.292 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 842' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.68 -38.52 67.55 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 120.537 -0.465 . . . . 17.350000000000001 111.748 -178.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 843' ' ' VAL . . . . . . . . . . . . . 89.0 t -61.11 -43.51 96.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 108.905 -0.776 . . . . 19.620000000000001 108.905 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 844' ' ' ARG . . . . . 0.404 ' NE ' ' O ' ' A' ' 21' ' ' HOH . 19.7 mtm180 -62.17 -40.46 96.1 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.483 -0.326 . . . . 40.090000000000003 111.338 179.301 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 18.0 tpp85 -67.0 -41.86 86.0 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 112.693 0.627 . . . . 32.219999999999999 112.693 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 18.8 t -63.43 -44.87 99.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 N-CA-C 108.042 -1.096 . . . . 17.469999999999999 108.042 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 847' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.17 -40.32 89.56 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 118.105 -1.438 . . . . 33.170000000000002 109.516 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -62.19 -43.68 98.28 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 118.819 -1.152 . . . . 38.609999999999999 110.934 -179.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 849' ' ' MET . . . . . . . . . . . . . 88.1 mtp -64.0 -32.13 73.57 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 112.879 0.696 . . . . 33.07 112.879 179.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 850' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -64.09 -33.71 76.38 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 118.604 -1.238 . . . . 31.27 108.387 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 851' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -71.11 -41.28 70.76 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.428 -0.582 . . . . 36.859999999999999 109.428 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 74.5 m -61.49 -42.13 98.33 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.284 -0.635 . . . . 28.120000000000001 109.284 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 853' ' ' ILE . . . . . . . . . . . . . 62.7 mt -64.97 -40.4 88.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 122.023 -0.423 . . . . 23.620000000000001 111.308 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 854' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.11 99.69 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 109.919 -1.273 . . . . 23.98 109.919 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 69.3 m -65.33 -38.84 91.38 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.456 -1.026 . . . . 33.979999999999997 112.945 -179.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 51.4 mt -64.09 -42.02 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 109.402 -0.592 . . . . 26.460000000000001 109.402 177.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 857' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.85 -39.37 85.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.304 -0.628 . . . . 24.82 109.304 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 70.6 m -64.67 -40.38 95.31 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.398 -0.521 . . . . 32.409999999999997 111.516 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 859' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.13 -44.1 76.83 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.921 -0.582 . . . . 33.340000000000003 111.83 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 860' ' ' ILE . . . . . . . . . . . . . 8.2 tp -67.7 -35.62 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 119.25 -0.98 . . . . 27.960000000000001 111.277 -178.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 861' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.98 -31.22 70.78 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 119.032 -1.067 . . . . 27.899999999999999 110.251 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -69.54 -41.63 75.69 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.587 -0.894 . . . . 18.699999999999999 108.587 179.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 14.1 t -63.98 -43.89 97.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 N-CA-C 108.753 -0.832 . . . . 22.210000000000001 108.753 178.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 864' ' ' ILE . . . . . . . . . . . . . 48.5 mt -56.3 -41.42 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 119.902 -0.719 . . . . 20.920000000000002 110.846 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 865' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.23 -38.06 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 118.775 -1.17 . . . . 19.030000000000001 112.606 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 866' ' ' LYS . . . . . 0.465 ' NZ ' ' O ' ' A' ' 11' ' ' HOH . 95.2 mttt -59.89 -39.22 84.61 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.016 0.436 . . . . 39.299999999999997 109.858 178.22 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 867' ' ' LEU . . . . . . . . . . . . . 27.6 mt -72.16 -36.94 69.45 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.059 -0.657 . . . . 25.949999999999999 112.603 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -65.65 -32.06 73.42 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.99 -0.55 . . . . 36.439999999999998 112.239 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 20.0 pt -101.26 6.47 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 119.588 -0.845 . . . . 30.75 111.7 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 11.8 ttp . . . . . 0 C--O 1.246 0.874 0 C-N-CA 117.114 -1.834 . . . . 48.030000000000001 113.977 -177.604 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . 0.465 ' O ' ' NZ ' ' A' ' 866' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HOH . . . . . 0.404 ' O ' ' NE ' ' A' ' 844' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 834' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 N--CA 1.501 2.108 0 CA-C-O 121.233 0.54 . . . . 31.39 112.119 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 835' ' ' SER . . . . . . . . . . . . . 95.1 p -82.69 160.78 22.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.556 0.946 . . . . 31.63 113.556 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 836' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 840' ' ' GLN . 16.8 t80 -57.71 -45.75 85.29 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 114.744 -1.117 . . . . 43.08 112.327 179.208 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -55.72 -50.24 70.89 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 113.475 0.917 . . . . 45.33 113.475 -178.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 838' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -67.18 -37.33 83.5 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 119.413 -0.915 . . . . 34.3 111.35 -179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 839' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -63.67 -42.66 98.04 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.24 -0.652 . . . . 25.5 109.24 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 840' ' ' GLN . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 836' ' ' TYR . 89.6 mm-40 -63.5 -31.1 72.16 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 112.91 0.708 . . . . 32.67 112.91 178.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 841' ' ' VAL . . . . . . . . . . . . . 44.1 t -58.19 -42.47 83.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.292 -1.003 . . . . 20.68 108.292 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 842' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.68 -38.52 67.55 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 120.537 -0.465 . . . . 17.35 111.748 -178.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 843' ' ' VAL . . . . . . . . . . . . . 89.0 t -61.11 -43.51 96.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 108.905 -0.776 . . . . 19.62 108.905 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 844' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -62.17 -40.46 96.1 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.483 -0.326 . . . . 40.09 111.338 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 18.0 tpp85 -67.0 -41.86 86.0 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 112.693 0.627 . . . . 32.22 112.693 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 846' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 850' ' ' GLU . 18.8 t -63.43 -44.87 99.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 N-CA-C 108.042 -1.096 . . . . 17.47 108.042 177.87 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 847' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.17 -40.32 89.56 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 118.105 -1.438 . . . . 33.17 109.516 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -62.19 -43.68 98.28 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 118.819 -1.152 . . . . 38.61 110.934 -179.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 849' ' ' MET . . . . . . . . . . . . . 88.1 mtp -64.0 -32.13 73.57 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 112.879 0.696 . . . . 33.07 112.879 179.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 850' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 846' ' ' VAL . 59.4 mt-10 -64.09 -33.71 76.38 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 118.604 -1.238 . . . . 31.27 108.387 178.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 851' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -71.11 -41.28 70.76 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.428 -0.582 . . . . 36.86 109.428 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 74.5 m -61.49 -42.13 98.33 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.284 -0.635 . . . . 28.12 109.284 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 853' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 857' ' ' VAL . 62.7 mt -64.97 -40.4 88.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 122.023 -0.423 . . . . 23.62 111.308 178.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 854' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.11 99.69 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 109.919 -1.273 . . . . 23.98 109.919 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 69.3 m -65.33 -38.84 91.38 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.456 -1.026 . . . . 33.98 112.945 -179.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 51.4 mt -64.09 -42.02 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 109.402 -0.592 . . . . 26.46 109.402 177.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 857' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 853' ' ' ILE . 91.9 t -63.85 -39.37 85.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.304 -0.628 . . . . 24.82 109.304 179.701 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 70.6 m -64.67 -40.38 95.31 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.398 -0.521 . . . . 32.41 111.516 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 859' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.13 -44.1 76.83 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.921 -0.582 . . . . 33.34 111.83 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 860' ' ' ILE . . . . . . . . . . . . . 8.2 tp -67.7 -35.62 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 119.25 -0.98 . . . . 27.96 111.277 -178.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 861' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.98 -31.22 70.78 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 119.032 -1.067 . . . . 27.9 110.251 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -69.54 -41.63 75.69 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.587 -0.894 . . . . 18.7 108.587 179.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 14.1 t -63.98 -43.89 97.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 N-CA-C 108.753 -0.832 . . . . 22.21 108.753 178.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 864' ' ' ILE . . . . . 0.422 ' O ' ' HG3' ' A' ' 868' ' ' GLU . 48.5 mt -56.3 -41.42 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 119.902 -0.719 . . . . 20.92 110.846 179.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 865' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.23 -38.06 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 118.775 -1.17 . . . . 19.03 112.606 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 866' ' ' LYS . . . . . 0.465 ' NZ ' ' O ' ' A' ' 11' ' ' HOH . 95.2 mttt -59.89 -39.22 84.61 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.016 0.436 . . . . 39.3 109.858 178.22 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 867' ' ' LEU . . . . . . . . . . . . . 27.6 mt -72.16 -36.94 69.45 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.059 -0.657 . . . . 25.95 112.603 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 868' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 864' ' ' ILE . 59.8 mt-10 -65.65 -32.06 73.42 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.99 -0.55 . . . . 36.44 112.239 178.771 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 20.0 pt -101.26 6.47 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 119.588 -0.845 . . . . 30.75 111.7 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 11.8 ttp . . . . . 0 C--O 1.246 0.874 0 C-N-CA 117.114 -1.834 . . . . 48.03 113.977 -177.604 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . 0.465 ' O ' ' NZ ' ' A' ' 866' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 834' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 N--CA 1.501 2.108 0 CA-C-O 121.233 0.54 . . . . 31.39 112.119 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 835' ' ' SER . . . . . . . . . . . . . 95.1 p -82.69 160.78 22.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.556 0.946 . . . . 31.63 113.556 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 836' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 840' ' ' GLN . 16.8 t80 -57.71 -45.75 85.29 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 114.744 -1.117 . . . . 43.08 112.327 179.208 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 837' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -55.72 -50.24 70.89 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 113.475 0.917 . . . . 45.33 113.475 -178.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 838' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -67.18 -37.33 83.5 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 119.413 -0.915 . . . . 34.3 111.35 -179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 839' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -63.67 -42.66 98.04 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.24 -0.652 . . . . 25.5 109.24 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 840' ' ' GLN . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 836' ' ' TYR . 89.6 mm-40 -63.5 -31.1 72.16 Favored 'General case' 0 C--O 1.211 -0.973 0 N-CA-C 112.91 0.708 . . . . 32.67 112.91 178.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 841' ' ' VAL . . . . . . . . . . . . . 44.1 t -58.19 -42.47 83.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.292 -1.003 . . . . 20.68 108.292 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 842' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.68 -38.52 67.55 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 120.537 -0.465 . . . . 17.35 111.748 -178.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 843' ' ' VAL . . . . . . . . . . . . . 89.0 t -61.11 -43.51 96.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 108.905 -0.776 . . . . 19.62 108.905 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 844' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -62.17 -40.46 96.1 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.483 -0.326 . . . . 40.09 111.338 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 845' ' ' ARG . . . . . . . . . . . . . 18.0 tpp85 -67.0 -41.86 86.0 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 112.693 0.627 . . . . 32.22 112.693 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 846' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 850' ' ' GLU . 18.8 t -63.43 -44.87 99.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 N-CA-C 108.042 -1.096 . . . . 17.47 108.042 177.87 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 847' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.17 -40.32 89.56 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 118.105 -1.438 . . . . 33.17 109.516 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -62.19 -43.68 98.28 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 118.819 -1.152 . . . . 38.61 110.934 -179.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 849' ' ' MET . . . . . . . . . . . . . 88.1 mtp -64.0 -32.13 73.57 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 112.879 0.696 . . . . 33.07 112.879 179.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 850' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 846' ' ' VAL . 59.4 mt-10 -64.09 -33.71 76.38 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 118.604 -1.238 . . . . 31.27 108.387 178.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 851' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -71.11 -41.28 70.76 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.428 -0.582 . . . . 36.86 109.428 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 74.5 m -61.49 -42.13 98.33 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.284 -0.635 . . . . 28.12 109.284 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 853' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 857' ' ' VAL . 62.7 mt -64.97 -40.4 88.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 122.023 -0.423 . . . . 23.62 111.308 178.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 854' ' ' GLY . . . . . . . . . . . . . . . -61.46 -42.11 99.69 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 109.919 -1.273 . . . . 23.98 109.919 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 69.3 m -65.33 -38.84 91.38 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.456 -1.026 . . . . 33.98 112.945 -179.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 51.4 mt -64.09 -42.02 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 109.402 -0.592 . . . . 26.46 109.402 177.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 857' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 853' ' ' ILE . 91.9 t -63.85 -39.37 85.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.304 -0.628 . . . . 24.82 109.304 179.701 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 70.6 m -64.67 -40.38 95.31 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.398 -0.521 . . . . 32.41 111.516 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 859' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.13 -44.1 76.83 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.921 -0.582 . . . . 33.34 111.83 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 860' ' ' ILE . . . . . . . . . . . . . 8.2 tp -67.7 -35.62 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 119.25 -0.98 . . . . 27.96 111.277 -178.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 861' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.98 -31.22 70.78 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 119.032 -1.067 . . . . 27.9 110.251 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -69.54 -41.63 75.69 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.587 -0.894 . . . . 18.7 108.587 179.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 14.1 t -63.98 -43.89 97.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 N-CA-C 108.753 -0.832 . . . . 22.21 108.753 178.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 864' ' ' ILE . . . . . 0.422 ' O ' ' HG3' ' A' ' 868' ' ' GLU . 48.5 mt -56.3 -41.42 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 119.902 -0.719 . . . . 20.92 110.846 179.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 865' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.23 -38.06 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 118.775 -1.17 . . . . 19.03 112.606 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 866' ' ' LYS . . . . . 0.465 ' NZ ' ' O ' ' A' ' 11' ' ' HOH . 95.2 mttt -59.89 -39.22 84.61 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.016 0.436 . . . . 39.3 109.858 178.22 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 867' ' ' LEU . . . . . . . . . . . . . 27.6 mt -72.16 -36.94 69.45 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.059 -0.657 . . . . 25.95 112.603 -179.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 868' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 864' ' ' ILE . 59.8 mt-10 -65.65 -32.06 73.42 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.99 -0.55 . . . . 36.44 112.239 178.771 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 869' ' ' ILE . . . . . . . . . . . . . 20.0 pt -101.26 6.47 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 119.588 -0.845 . . . . 30.75 111.7 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 11.8 ttp . . . . . 0 C--O 1.246 0.874 0 C-N-CA 117.114 -1.834 . . . . 48.03 113.977 -177.604 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . 0.465 ' O ' ' NZ ' ' A' ' 866' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_