data_4dzk_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 4dzk _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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.47 0 N-CA-C 113.808 0.283 . . . . 35.710000000000001 113.808 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -58.42 -48.18 81.54 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.137 1.162 . . . . 62.57 114.137 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.8 mm -63.71 -47.95 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.582 -0.525 . . . . 39.600000000000001 109.582 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.49 -43.34 79.58 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.139 0.792 . . . . 25.73 113.139 176.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.42 96.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 122.565 0.346 . . . . 23.239999999999998 111.301 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 mm -57.65 -50.48 77.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 116.215 -0.448 . . . . 30.989999999999998 110.347 174.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -58.01 -37.83 75.02 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.987 0.736 . . . . 42.890000000000001 112.987 -179.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -64.83 -40.84 95.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.286 -0.415 . . . . 57.469999999999999 111.938 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -68.74 -38.03 79.85 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 123.537 0.523 . . . . 56.159999999999997 112.244 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.48 -44.39 99.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.678 -0.489 . . . . 22.289999999999999 109.678 174.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.01 97.42 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.996 -0.547 . . . . 22.829999999999998 111.711 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.88 97.52 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 111.668 0.247 . . . . 24.390000000000001 111.668 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.87 -39.12 93.05 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.796 0.665 . . . . 21.16 112.796 175.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -59.37 -41.99 90.59 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.845 0.458 . . . . 44.009999999999998 111.576 175.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -62.86 -46.68 86.77 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.474 0.546 . . . . 50.350000000000001 112.474 175.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.23 -40.82 97.42 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.507 0.194 . . . . 41.149999999999999 111.48 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.98 -43.7 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 116.281 -0.418 . . . . 22.34 111.892 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.33 91.31 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 111.648 0.24 . . . . 22.559999999999999 111.648 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.04 87.28 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.063 0.545 . . . . 26.34 112.47 174.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.79 -43.64 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 123.247 0.619 . . . . 24.379999999999999 111.054 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -64.43 -35.87 82.33 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 120.865 -0.334 . . . . 36.420000000000002 111.404 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -64.35 -49.09 73.06 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 110.198 -0.297 . . . . 35.57 110.198 172.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -52.37 -45.76 65.92 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.352 0.871 . . . . 51.390000000000001 113.352 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.7 mt -62.4 -40.47 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.192 -0.299 . . . . 35.770000000000003 110.192 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.9 91.28 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.592 -0.276 . . . . 34.329999999999998 111.541 175.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.16 -38.25 69.21 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.303 0.483 . . . . 34.710000000000001 112.303 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.5 mt -62.59 -41.19 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 120.858 0.361 . . . . 33.740000000000002 111.166 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -72.66 -21.71 61.04 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.003 0.372 . . . . 52.289999999999999 112.003 176.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 125.754 1.622 . . . . 52.880000000000003 113.895 170.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.47 0 N-CA-C 113.808 0.283 . . . . 35.710000000000001 113.808 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -58.42 -48.18 81.54 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.137 1.162 . . . . 62.57 114.137 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.8 mm -63.71 -47.95 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.582 -0.525 . . . . 39.600000000000001 109.582 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.49 -43.34 79.58 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.139 0.792 . . . . 25.73 113.139 176.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.42 96.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 122.565 0.346 . . . . 23.239999999999998 111.301 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' HA ' HD13 ' A' ' 6' ' ' ILE . 2.1 mm -57.65 -50.48 77.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 116.215 -0.448 . . . . 30.989999999999998 110.347 174.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -58.01 -37.83 75.02 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.987 0.736 . . . . 42.890000000000001 112.987 -179.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -64.83 -40.84 95.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.286 -0.415 . . . . 57.469999999999999 111.938 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -68.74 -38.03 79.85 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 123.537 0.523 . . . . 56.159999999999997 112.244 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.48 -44.39 99.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.678 -0.489 . . . . 22.289999999999999 109.678 174.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.01 97.42 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.996 -0.547 . . . . 22.829999999999998 111.711 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.88 97.52 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 111.668 0.247 . . . . 24.390000000000001 111.668 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.87 -39.12 93.05 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.796 0.665 . . . . 21.16 112.796 175.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -59.37 -41.99 90.59 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.845 0.458 . . . . 44.009999999999998 111.576 175.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -62.86 -46.68 86.77 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.474 0.546 . . . . 50.350000000000001 112.474 175.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.23 -40.82 97.42 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.507 0.194 . . . . 41.149999999999999 111.48 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.98 -43.7 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 116.281 -0.418 . . . . 22.34 111.892 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.33 91.31 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 111.648 0.24 . . . . 22.559999999999999 111.648 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.04 87.28 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.063 0.545 . . . . 26.34 112.47 174.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.79 -43.64 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 123.247 0.619 . . . . 24.379999999999999 111.054 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -64.43 -35.87 82.33 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 120.865 -0.334 . . . . 36.420000000000002 111.404 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -64.35 -49.09 73.06 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 110.198 -0.297 . . . . 35.57 110.198 172.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -52.37 -45.76 65.92 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.352 0.871 . . . . 51.390000000000001 113.352 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.7 mt -62.4 -40.47 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.192 -0.299 . . . . 35.770000000000003 110.192 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.9 91.28 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.592 -0.276 . . . . 34.329999999999998 111.541 175.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.16 -38.25 69.21 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.303 0.483 . . . . 34.710000000000001 112.303 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.5 mt -62.59 -41.19 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 120.858 0.361 . . . . 33.740000000000002 111.166 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 41.9 mtmt -72.66 -21.71 61.04 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.003 0.372 . . . . 52.289999999999999 112.003 176.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 125.754 1.622 . . . . 52.880000000000003 113.895 170.577 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.47 0 N-CA-C 113.808 0.283 . . . . 35.710000000000001 113.808 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -58.42 -48.18 81.54 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.137 1.162 . . . . 62.57 114.137 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.8 mm -63.71 -47.95 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.582 -0.525 . . . . 39.600000000000001 109.582 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.49 -43.34 79.58 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.139 0.792 . . . . 25.73 113.139 176.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.42 96.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 122.565 0.346 . . . . 23.239999999999998 111.301 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' HA ' HD13 ' A' ' 6' ' ' ILE . 2.1 mm -57.65 -50.48 77.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 116.215 -0.448 . . . . 30.989999999999998 110.347 174.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -58.01 -37.83 75.02 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.987 0.736 . . . . 42.890000000000001 112.987 -179.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -64.83 -40.84 95.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.286 -0.415 . . . . 57.469999999999999 111.938 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -68.74 -38.03 79.85 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 123.537 0.523 . . . . 56.159999999999997 112.244 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.48 -44.39 99.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.678 -0.489 . . . . 22.289999999999999 109.678 174.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.01 97.42 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.996 -0.547 . . . . 22.829999999999998 111.711 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.88 97.52 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 111.668 0.247 . . . . 24.390000000000001 111.668 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.87 -39.12 93.05 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.796 0.665 . . . . 21.16 112.796 175.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -59.37 -41.99 90.59 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.845 0.458 . . . . 44.009999999999998 111.576 175.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -62.86 -46.68 86.77 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.474 0.546 . . . . 50.350000000000001 112.474 175.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.23 -40.82 97.42 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.507 0.194 . . . . 41.149999999999999 111.48 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.98 -43.7 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 116.281 -0.418 . . . . 22.34 111.892 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.33 91.31 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 111.648 0.24 . . . . 22.559999999999999 111.648 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.04 87.28 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.063 0.545 . . . . 26.34 112.47 174.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.79 -43.64 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 123.247 0.619 . . . . 24.379999999999999 111.054 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -64.43 -35.87 82.33 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 120.865 -0.334 . . . . 36.420000000000002 111.404 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -64.35 -49.09 73.06 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 110.198 -0.297 . . . . 35.57 110.198 172.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -52.37 -45.76 65.92 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.352 0.871 . . . . 51.390000000000001 113.352 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.7 mt -62.4 -40.47 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.192 -0.299 . . . . 35.770000000000003 110.192 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.9 91.28 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.592 -0.276 . . . . 34.329999999999998 111.541 175.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.16 -38.25 69.21 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.303 0.483 . . . . 34.710000000000001 112.303 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.5 mt -62.59 -41.19 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 120.858 0.361 . . . . 33.740000000000002 111.166 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 41.9 mtmt -72.66 -21.71 61.04 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.003 0.372 . . . . 52.289999999999999 112.003 176.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 125.754 1.622 . . . . 52.880000000000003 113.895 170.577 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_